data_1rfl_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 1rfl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -121.14 178.27 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -172.18 177.65 3.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.62 174.67 18.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mtt -171.68 -176.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.55 123.93 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 m -121.23 137.66 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 p -117.25 143.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.5 mt -123.22 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.45 -177.51 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.54 55.91 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.165 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 16.0 mtm105 63.87 150.56 0.11 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -74.99 112.68 3.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 5.8 t30 78.56 85.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.78 35.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.21 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.47 54.39 3.76 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 0.709 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 m -63.73 -56.74 13.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -34.71 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -63.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -40.93 -47.91 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -45.21 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.12 -26.65 4.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.7 tp -66.54 -67.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.77 117.76 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.02 -26.78 3.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.859 HH21 ' CE1' ' A' ' 49' ' ' HIS . 11.7 mtm-85 -50.11 150.44 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.797 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.8 mp0 -92.65 -63.46 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.4 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' GLU . . . -83.0 106.98 15.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.77 138.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.33 140.78 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -122.9 -174.36 2.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -101.91 139.24 37.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.469 HG12 ' N ' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -36.49 -42.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' N ' HG12 ' A' ' 38' ' ' ILE . . . 39.26 30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 96.13 115.08 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 p -52.88 122.94 10.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.415 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -59.46 148.84 31.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.25 84.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -4.14 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p 42.22 40.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tp -121.43 73.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.49 15.82 22.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.163 . . . . 0.0 110.26 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.58 36.02 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.24 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.859 ' CE1' HH21 ' A' ' 30' ' ' ARG . 1.4 m170 51.38 -175.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 58' ' ' HIS . 1.4 pt -122.7 96.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -68.24 120.21 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.631 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 tp -152.88 102.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.39 -35.5 27.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -47.76 -95.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.7 151.36 37.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.97 84.07 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 5.0 t-80 -154.43 115.84 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.66 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 pp -99.82 128.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mt -123.95 160.8 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.09 119.4 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.4 m -106.23 104.32 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.448 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -88.28 -96.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.67 18.28 14.69 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.16 162.31 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 0.795 . . . . 0.0 109.319 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -25.11 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.41 -57.67 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.237 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 m -54.3 -37.08 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.14 -43.92 85.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -26.74 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 63' ' ' ALA . 2.5 t -65.65 -46.09 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.65 52.7 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -165.43 -43.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -39.9 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . -90.4 39.55 3.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.557 1.16 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' GLY . 3.7 mt 40.36 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -161.58 135.21 6.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -51.64 150.56 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.68 64.32 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -106.91 -162.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.986 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.31 129.58 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 170.52 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -173.88 128.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.72 -169.96 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -112.28 166.82 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.81 158.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -133.74 -55.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.476 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 40.1 mmt-85 -108.25 94.06 4.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 90' ' ' VAL . 7.8 p -100.34 80.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.478 ' CD2' ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -77.21 142.09 39.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CE1' HG12 ' A' ' 107' ' ' ILE . 70.8 m-85 -105.99 156.88 17.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 mmt -129.22 117.72 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.1 m -120.16 153.99 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.06 109.14 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.59 -150.03 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 t -87.98 50.25 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.9 m -101.55 130.82 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.375 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 m -120.1 102.81 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -99.91 174.81 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -16.23 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 t -93.02 -9.35 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.515 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -60.63 -51.78 77.3 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.0 Cg_endo -75.03 -38.17 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 62.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.7 OUTLIER 169.8 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.527 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -96.26 -16.51 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -66.48 -56.49 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 107.981 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.02 55.58 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -150.16 -51.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.548 ' CD1' HG22 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -42.48 -38.37 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.514 ' CG2' ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -84.84 79.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.05 -179.93 8.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.077 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -115.18 54.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.06 156.16 14.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.74 42.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 118' ' ' LYS . . . -101.11 -70.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 117' ' ' ALA . 0.4 OUTLIER 82.88 88.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.02 150.47 43.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 147' ' ' ARG . 5.2 mt -136.29 151.09 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.5 142.58 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.14 42.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.8 175.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -52.95 177.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.36 107.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.8 76.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.383 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.2 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 17.9 mm -67.43 -64.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.2 p -42.73 -40.37 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.09 -54.98 12.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -102.32 48.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -115.31 -39.59 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -69.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -39.07 -54.27 2.5 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.13 57.01 3.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 0.842 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.3 t 70.76 -69.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 140' ' ' VAL . 0.3 OUTLIER 174.42 -176.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.548 HG22 ' CD1' ' A' ' 111' ' ' PHE . 0.4 OUTLIER 73.14 152.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -98.17 88.18 4.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.99 132.05 50.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -42.5 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -153.46 142.83 21.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 8.9 mt -106.36 115.39 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 146' ' ' ILE . 4.3 mp -129.02 129.67 68.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.469 ' HB3' ' CG2' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -83.52 152.12 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.59 174.76 4.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.5 p -139.98 171.19 14.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.068 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.96 -75.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -85.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 87.8 m -66.12 137.74 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -79.66 61.86 4.2 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.21 -70.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -131.62 71.1 0.51 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 41.8 t -102.0 -46.63 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.98 -35.33 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.42 -23.63 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -47.24 16.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -60.29 -25.8 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -91.58 21.05 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.01 -44.14 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -66.24 -33.72 76.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -39.88 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.476 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 23.1 m -58.41 -72.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -50.2 131.89 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.88 168.67 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 4.1 mm 55.16 169.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 2.1 t-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.29 162.18 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -103.97 139.11 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 120.09 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.97 -166.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 151.71 46.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.5 m -149.56 103.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.31 151.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt -129.84 88.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.431 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -87.87 -177.53 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.27 158.85 7.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.3 ptt85 -57.36 158.74 9.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.73 11.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.48 83.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.19 -57.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.31 68.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -110.2 -87.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 0.81 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 m -49.61 -31.1 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -44.6 83.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' A' ' 91' ' ' LEU . 7.6 tp -69.0 -43.08 75.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' CD2' ' C ' ' A' ' 24' ' ' LEU . 3.6 tt -43.76 -55.42 4.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -44.07 -70.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.87 -49.73 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.94 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.49 -57.33 4.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.74 62.67 5.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -128.09 39.36 3.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 0.731 . . . . 0.0 110.25 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 54.48 169.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 42.96 81.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.23 118.8 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -103.63 124.0 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -130.98 140.97 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -136.29 151.62 49.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.93 78.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mm -56.86 159.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.52 -63.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.45 50.43 1.43 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 p 40.64 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 p -127.37 147.1 50.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.67 -42.62 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -83.9 -0.67 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 63' ' ' ALA . 8.0 p 47.21 32.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.04 99.33 8.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.06 4.51 7.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -92.1 15.39 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 50.36 -175.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.25 166.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.701 ' CE1' HH21 ' A' ' 160' ' ' ARG . 1.2 t-80 -170.48 102.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.72 87.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -41.03 -49.94 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.44 -89.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.82 132.94 24.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 58.58 4.89 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.98 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -134.72 152.88 52.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.534 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -139.75 98.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.2 mt -113.65 146.35 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -133.96 134.62 42.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 62' ' ' THR . 9.7 t -78.09 104.97 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 45' ' ' VAL . . . -65.31 -97.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.46 -72.28 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.108 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.1 -148.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.41 -47.72 16.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -64.13 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' VAL . . . -45.83 -53.48 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -49.05 -48.46 43.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.046 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -61.29 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -55.12 -29.91 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.1 t -65.55 -26.89 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE1' ' CG ' ' A' ' 82' ' ' GLN . 5.0 mm-40 -90.68 -8.65 49.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 -89.81 -63.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -19.08 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.85 -20.52 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt 50.74 61.36 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.91 89.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.15 162.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.96 9.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.91 134.53 26.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -153.18 -159.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.16 152.59 32.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -149.72 -46.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 76.97 154.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.85 179.57 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.43 155.29 39.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 -7.08 11.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 1.4 tpp180 -163.91 141.14 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.4 p -132.33 127.46 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -100.19 131.6 46.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -124.45 104.86 8.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.448 ' HA ' ' CD ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -82.61 135.31 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.69 109.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.63 148.12 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.366 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.409 ' HA3' ' CG2' ' A' ' 122' ' ' THR . . . -62.9 135.55 43.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 97' ' ' THR . 2.3 m 39.31 56.51 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.0 m -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -104.23 98.5 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -107.42 169.92 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.8 -9.79 59.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.01 0.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.517 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.04 -51.78 3.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.04 -36.84 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.66 -13.24 40.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.21 -42.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' A' ' 92' ' ' PHE . 1.1 pt -92.57 25.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.477 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -79.57 -57.75 0.69 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -16.74 20.03 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.85 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.37 48.02 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 tp -174.39 76.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -178.46 157.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.24 37.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 4.2 mm? -121.53 132.62 24.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.5 Cg_endo -75.08 138.15 22.48 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.91 139.77 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.76 ' HZ3' ' HB3' ' A' ' 162' ' ' HIS . 0.5 OUTLIER -117.41 143.95 45.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.66 140.53 38.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.448 ' CD ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.99 -168.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.413 1.744 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.457 ' CG1' HD22 ' A' ' 145' ' ' LEU . 63.5 mt -145.41 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.409 ' CG2' ' HA3' ' A' ' 96' ' ' GLY . 2.1 m -115.06 59.76 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 123' ' ' VAL . 9.8 p -72.6 67.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -91.31 -175.69 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -43.15 160.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.4 m120 64.03 86.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -5.1 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.44 -46.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.19 -37.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.4 m -64.84 -27.44 68.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.67 -30.36 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.592 1.182 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -38.45 63.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.221 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 135' ' ' LEU . 7.8 t -75.19 -54.43 7.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 136' ' ' GLY . 1.6 pt? 38.72 -150.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' A' ' 135' ' ' LEU . . . -76.14 62.01 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' A' ' 138' ' ' SER . 1.2 mpp? 60.86 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER 159.45 -35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.519 ' O ' ' CG1' ' A' ' 140' ' ' VAL . 12.0 pt-20 -166.37 173.17 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 139' ' ' GLU . 6.4 p 50.75 177.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -102.2 122.99 45.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -78.48 136.87 18.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -73.7 -48.8 29.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.41 124.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 121' ' ' ILE . 1.1 mt -104.3 97.84 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.5 pp -125.96 165.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.21 147.33 33.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.435 ' C ' ' CD2' ' A' ' 148' ' ' LEU . 0.0 OUTLIER -174.64 145.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 27.3 p -125.1 128.79 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.35 64.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.38 -70.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 38.8 p -103.71 6.25 36.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.83 52.54 51.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -40.8 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -135.4 52.33 0.8 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.3 p -77.87 -2.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -50.86 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 9.4 p -59.32 -22.44 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 91' ' ' LEU . 1.4 tm? -78.75 -57.27 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.701 HH21 ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -49.63 -51.19 39.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.384 1.052 . . . . 0.0 110.376 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -49.27 -54.3 17.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.76 ' HB3' ' HZ3' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -54.43 -33.43 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.4 mp -79.06 -24.4 43.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.53 -48.67 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -15.57 50.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 1.4 t -79.29 -59.48 2.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 58.5 mtm -43.8 105.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -75.36 162.2 53.31 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.2 pt -57.44 120.27 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.577 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.4 143.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -134.74 148.44 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.63 128.66 2.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 88' ' ' ASP . 0.6 OUTLIER -170.08 150.43 3.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.921 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.455 ' CD ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -113.86 146.74 39.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.17 147.34 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.61 139.11 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -123.9 77.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.76 121.03 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 93' ' ' MET . . . -151.75 -168.21 15.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.494 HH21 ' CB ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -78.42 157.99 76.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.743 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -5.08 16.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -146.73 67.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.59 -67.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.68 62.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.381 1.051 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -110.08 -15.96 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -86.59 -56.69 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -55.73 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -58.53 -29.21 66.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.02 -19.73 59.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.82 21.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.26 42.15 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.78 -47.68 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.24 -55.0 1.53 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HD2' ' HE2' ' A' ' 49' ' ' HIS . 4.0 mtt180 -40.83 116.96 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.2 tp10 -38.85 148.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . 62.5 -82.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 32' ' ' ALA . . . 81.82 101.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pt -85.13 154.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.4 149.04 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -116.22 160.81 19.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.29 82.75 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.49 121.84 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.31 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' THR . . . -51.0 110.19 0.91 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 13.9 p -38.53 153.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -91.1 -19.5 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 42' ' ' THR . 22.9 mmt180 66.78 -60.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -67.67 -8.76 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' ARG . 22.8 t 70.55 -60.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.15 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -140.21 23.08 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.84 63.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.517 ' HE2' ' HD2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER 44.02 -165.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.525 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.92 -38.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 50.12 87.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 tp -130.34 97.18 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.3 t70 -55.52 -49.55 72.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . -37.72 -82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.7 140.97 15.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.48 58.11 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -168.33 127.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.558 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -111.3 153.66 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 18.4 mm -106.62 -98.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 60' ' ' ILE . 1.0 OUTLIER 156.38 69.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.455 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 3.0 m -67.02 69.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . -76.12 -160.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.66 -65.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.57 -168.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 0.816 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -73.37 -48.18 36.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -37.34 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.182 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 25.5 t -49.1 -35.9 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.441 ' HB2' HH21 ' A' ' 74' ' ' ARG . 30.1 m-20 -80.25 -51.27 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -50.93 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.28 -19.29 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 69' ' ' SER . 16.3 mm-40 -91.9 -9.01 44.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.441 HH21 ' HB2' ' A' ' 70' ' ' ASP . 8.0 mtm180 -93.12 -50.79 5.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.419 ' O ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -68.32 -25.15 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.74 -15.35 58.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.451 1.094 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mt 57.75 101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -172.29 75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.252 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 48.18 -92.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -174.41 -55.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.26 91.73 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 36.94 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 42.96 86.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -78.41 141.19 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' N ' HD12 ' A' ' 84' ' ' ILE . 1.3 mm-40 -82.17 135.66 35.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.32 163.02 14.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.33 149.99 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.464 ' HB2' ' CE ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -138.04 20.13 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.663 ' NH2' ' HZ2' ' A' ' 118' ' ' LYS . 6.4 mmm-85 -164.05 154.19 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.1 t -137.17 147.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 tt -129.07 91.96 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CG ' HD23 ' A' ' 119' ' ' LEU . 11.0 m-85 -72.02 162.97 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.457 ' CG ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -149.38 124.76 10.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 110.989 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.58 116.24 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -64.65 113.0 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.14 -151.41 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.7 t -96.65 42.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.0 m -101.35 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.433 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.2 m -119.38 126.33 51.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -160.84 176.31 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.64 177.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.3 t 76.36 -55.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -50.38 -51.7 61.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.01 1.89 7.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.64 -39.99 9.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.494 ' CB ' HH21 ' A' ' 15' ' ' ARG . 0.1 OUTLIER -95.46 51.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.25 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 108' ' ' TRP . 3.9 tt -143.45 -48.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -44.41 -56.39 8.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 108.029 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.03 56.45 4.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.369 1.721 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.29 -72.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.505 ' CG ' HG13 ' A' ' 140' ' ' VAL . 3.5 t80 -46.56 -34.99 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pp -95.16 81.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.381 1.05 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.89 -98.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.4 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -68.14 150.18 97.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.05 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 143' ' ' HIS . . . -152.84 169.97 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.663 ' HZ2' ' NH2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -142.36 122.96 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.423 HD23 ' CG ' ' A' ' 92' ' ' PHE . 4.2 mm? -103.98 123.25 41.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.435 ' CG ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.96 175.95 10.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.558 1.82 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.7 mt -140.1 148.31 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 m -133.17 90.03 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 8.8 m -98.51 83.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.07 120.66 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.377 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 127' ' ' LYS . 5.3 mtp180 57.76 172.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 128' ' ' ALA . 6.9 m120 69.76 -65.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 125' ' ' ARG . 1.9 mttm 68.4 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -51.7 -60.61 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.62 -40.11 71.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.9 mt -89.32 78.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.368 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -162.15 -73.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.39 -48.37 60.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.79 -62.53 1.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 0.793 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.7 p -47.22 -63.4 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.416 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -58.71 -75.54 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -37.45 -83.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER 35.13 74.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.981 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER -38.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 44.37 -150.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.505 HG13 ' CG ' ' A' ' 111' ' ' PHE . 1.2 m -106.84 179.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.63 81.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -61.33 140.35 47.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' ALA . 12.6 t-80 -59.53 -40.96 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.606 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -170.62 163.76 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.22 113.13 12.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 13.3 mm -134.42 139.75 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -80.91 160.92 24.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.95 165.64 15.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.191 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.51 146.01 51.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -49.33 -70.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 151' ' ' ARG . 3.6 ptm85 -43.47 135.11 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 3.3 p -38.63 118.3 0.73 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 130.54 176.16 14.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 56.28 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . 81.08 -117.34 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 52.3 t 61.18 -83.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 155' ' ' GLY . 0.3 OUTLIER -51.45 -37.44 48.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 16.0 t -57.02 -38.5 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.447 HD21 ' HZ3' ' A' ' 118' ' ' LYS . 3.3 mp -87.1 -22.52 25.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -37.77 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -32.36 59.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.85 -20.08 61.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -10.81 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -22.6 15.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.21 -50.99 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 167' ' ' MET . 17.4 p -66.95 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 166' ' ' SER . 2.4 mmt 36.99 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.8 123.12 31.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.7 mt -59.91 118.28 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 26.8 t60 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.16 140.53 28.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -87.39 147.8 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.21 112.22 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.95 -160.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 111.017 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -150.56 153.25 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -135.65 117.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -76.86 148.58 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mm -116.96 78.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -173.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.44 161.78 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -80.04 151.15 72.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.483 0.755 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 65.58 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.546 1.814 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.98 42.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.369 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.2 -53.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.08 57.12 0.02 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -61.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -41.65 88.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -45.37 79.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 9.0 mt -57.51 -54.64 44.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mt -45.37 -64.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -47.75 -35.74 10.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 23' ' ' LEU . . . -54.93 -64.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.79 65.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.41 -63.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.05 -50.55 0.79 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -50.54 140.36 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.35 -58.28 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.231 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.07 84.79 2.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.63 -179.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 tp -146.54 96.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.92 143.5 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -125.19 113.6 17.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -98.0 84.06 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tp -142.18 152.29 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.217 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.91 50.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.11 126.6 8.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -72.96 -36.29 67.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.377 0.692 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 m 52.04 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -56.26 -40.7 74.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 46' ' ' LEU . 29.8 m-20 -59.5 -16.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p 43.0 28.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.372 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' N ' ' C ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -117.37 59.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -112.62 11.6 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -96.24 46.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 57.99 -175.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.688 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -128.72 83.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -61.89 85.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.9 mm -135.19 107.32 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.2 -31.36 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.37 -65.8 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -136.02 141.69 37.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 147.84 34.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tp 74.36 52.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 148.63 45.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.3 mm -133.46 148.08 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.9 pt -137.42 -177.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -135.77 149.69 49.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 109.266 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 m -105.41 -62.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.23 -167.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.12 -63.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.31 -166.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.38 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 65.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -173.4 -44.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 p -68.06 -19.29 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.995 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -29.51 13.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -53.3 46.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.0 m -57.98 -28.38 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' GLU . 14.4 mt-10 -87.24 45.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 -48.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -15.49 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -109.32 40.11 2.67 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 78' ' ' GLU . 1.1 mp 69.06 -59.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 77' ' ' ILE . 96.0 mt-10 -34.26 131.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -113.85 -33.94 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 79' ' ' ARG . . . -44.43 163.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.457 ' O ' ' CE3' ' A' ' 81' ' ' TRP . 50.5 p-90 -117.91 57.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.4 173.36 11.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.52 85.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.1 tp -161.19 63.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.85 152.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -79.27 163.84 24.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.13 178.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.47 -49.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.433 ' HG3' ' CB ' ' A' ' 166' ' ' SER . 64.7 mmt-85 -128.97 163.11 26.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 115' ' ' LEU . 90.2 t -131.91 163.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.9 90.98 2.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.79 83.73 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.9 tpt -79.47 140.18 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.77 155.43 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -97.04 101.68 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.91 -137.9 7.3 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.9 t -101.88 29.76 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.7 m -84.24 129.59 34.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.488 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t -124.87 85.72 2.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -173.91 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -7.69 57.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.14 -15.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -58.8 -52.26 75.99 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.94 -9.11 20.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.78 -68.42 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.83 -32.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.1 tt -96.62 99.95 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -179.36 -59.85 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -9.65 20.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.597 1.84 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.36 -49.0 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -37.72 -55.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.5 pp -78.71 92.5 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.5 177.23 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -118.5 42.63 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 90' ' ' VAL . 1.3 pt? -149.38 143.21 16.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.08 146.35 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -93.96 177.79 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.04 103.39 1.01 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.36 11.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.415 HD13 ' CG2' ' A' ' 134' ' ' THR . 1.2 pt -104.93 97.11 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -44.21 162.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.6 p -149.6 52.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.46 164.67 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.55 -176.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.6 126.46 3.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.224 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.98 66.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.01 -67.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.5 -71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 131' ' ' THR . 0.0 OUTLIER -64.61 98.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 130' ' ' ILE . 0.9 OUTLIER 168.75 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.55 96.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.72 -16.84 33.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 0.744 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.415 ' CG2' HD13 ' A' ' 121' ' ' ILE . 0.9 OUTLIER -64.31 -61.62 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 pp -86.29 -36.02 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.23 53.83 4.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.412 1.07 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 139' ' ' GLU . 1.0 OUTLIER -109.12 -11.1 14.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 0.724 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.9 m 50.24 -93.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 137' ' ' MET . 55.2 mt-10 47.61 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.24 154.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.08 101.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -75.15 126.03 8.51 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -81.07 78.18 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.563 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 74.14 146.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.38 96.23 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mp -116.05 116.38 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 167.83 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.02 164.53 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.52 96.38 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -45.33 -29.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -53.68 -39.3 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 35.8 p -116.7 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 112.46 51.48 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.567 1.167 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.24 -70.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.286 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -110.26 62.87 0.28 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 1.4 p -97.21 -24.79 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -95.22 -13.54 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.03 -56.97 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.19 -22.85 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -24.52 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -76.2 -32.03 58.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -95.68 20.45 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -61.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -47.13 84.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -48.8 -62.92 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.433 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 3.5 m -49.97 -57.96 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.075 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 8.8 mtt -39.77 114.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -65.81 168.04 33.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 15.9 tt -88.56 137.77 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.556 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -153.14 -45.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.09 171.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.71 141.32 4.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.411 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -149.87 -172.77 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.969 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -98.69 147.12 25.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.86 110.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -106.3 151.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -144.6 78.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.88 131.35 44.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.91 165.17 38.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.75 HH21 ' HD2' ' A' ' 100' ' ' ASP . 0.9 OUTLIER -39.65 137.96 1.04 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 134.7 18.07 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.471 1.774 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.6 t-20 80.94 61.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.17 -46.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.0 48.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.24 -30.77 12.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -46.7 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 m -60.53 -38.99 86.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -59.39 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.96 -44.44 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 14.9 m-20 -84.08 82.99 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 25' ' ' ASN . . . 167.33 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -41.71 93.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -58.03 7.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.69 64.73 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -118.53 92.08 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.238 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -39.05 -55.29 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.97 94.29 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.49 171.81 7.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tt -167.45 142.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.88 151.37 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -137.43 141.61 41.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.57 97.87 8.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLY . 5.8 tp -42.15 -48.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.2 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -106.2 118.18 5.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -38.91 138.77 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.726 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 t -91.74 114.08 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -27.87 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -69.07 -18.38 63.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ARG . 36.8 t 70.15 -59.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HB2' ' OG1' ' A' ' 62' ' ' THR . 0.6 OUTLIER -44.52 94.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' VAL . 6.8 ttp85 -119.45 -13.2 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.51 48.74 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER 41.91 -161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.404 ' CG1' ' N ' ' A' ' 51' ' ' HIS . 15.3 tt -112.38 166.53 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.404 ' N ' ' CG1' ' A' ' 50' ' ' ILE . 12.2 t-160 -107.98 59.54 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' GLY . 30.0 mm -43.63 -76.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t70 69.77 -65.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -80.56 -98.55 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -105.98 133.76 20.06 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.542 0.789 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.81 -57.89 0.56 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -47.84 114.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.604 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -94.33 150.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.358 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -134.75 133.74 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CB ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -106.52 118.37 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.461 ' HB ' ' CG ' ' A' ' 9' ' ' LYS . 82.6 p -111.88 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.467 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.11 -98.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.6 -89.87 0.14 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -177.3 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -64.31 -53.62 45.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.44 -70.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.21 -45.63 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -70.42 64.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.97 -55.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -39.89 93.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 61' ' ' ASP . 28.7 m -49.38 -45.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 78' ' ' GLU . 8.0 mm-40 -61.34 -27.97 68.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.35 -40.07 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.18 -34.1 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.81 21.02 47.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.0 mm 47.71 84.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.7 mp0 -158.97 152.3 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 79' ' ' ARG . 22.0 ttp-105 -76.68 131.94 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.23 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.6 t90 66.55 70.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 108.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -70.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.32 165.92 3.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -177.56 131.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -79.27 165.71 22.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 150.0 29.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.01 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -122.16 -64.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -110.98 143.85 41.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.441 HG11 ' CB ' ' A' ' 117' ' ' ALA . 12.2 p -136.69 130.51 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.689 ' CD1' ' HZ3' ' A' ' 118' ' ' LYS . 9.4 tt -139.65 95.66 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 119' ' ' LEU . 17.2 p90 -97.13 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 tpt -64.6 148.82 50.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.405 HG23 ' CE2' ' A' ' 92' ' ' PHE . 88.6 t -118.49 139.11 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.14 108.97 10.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.05 -154.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.424 1.078 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 t -77.43 -39.53 46.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -47.6 120.16 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 m -112.8 92.77 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.75 ' HD2' HH21 ' A' ' 15' ' ' ARG . 5.3 m-20 -53.83 172.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.23 -10.85 59.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 34.6 t -94.17 -17.38 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.78 -51.74 73.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.97 -28.49 9.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.53 71.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -28.85 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.499 ' CD1' ' CB ' ' A' ' 110' ' ' GLU . 1.5 tp -106.64 26.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.3 -51.46 34.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.08 -42.09 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.541 1.811 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.499 ' CB ' ' CD1' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -46.04 -52.66 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.338 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -37.75 -55.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 1.1 pt -93.58 107.85 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 112' ' ' ILE . . . 167.57 127.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -68.78 72.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 4.3 pp -161.18 133.23 4.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.1 Cg_endo -74.97 146.66 33.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.441 ' CB ' HG11 ' A' ' 90' ' ' VAL . . . -128.12 -173.1 2.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.689 ' HZ3' ' CD1' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -140.18 160.62 39.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -141.72 116.03 6.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.72 16.92 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 10.8 mm -82.01 148.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' A' ' 130' ' ' ILE . 16.7 m -101.88 115.04 29.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.088 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.23 46.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.7 m -125.57 162.33 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.59 -162.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.18 133.96 56.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -73.83 -20.81 60.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.11 76.3 10.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.33 -41.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 122' ' ' THR . 55.4 mt -51.44 -70.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.595 1.184 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.471 ' HA ' ' CG2' ' A' ' 134' ' ' THR . 3.6 t -39.52 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.461 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 130' ' ' ILE . . . -69.82 -51.15 25.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -63.91 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.338 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 131' ' ' THR . 4.8 t -40.07 -50.65 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.0 mt -41.39 -53.13 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -113.98 47.6 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER -36.6 -38.72 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.4 m 172.28 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.49 96.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 117.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 86.2 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -81.98 144.86 24.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 1.4 t-80 -40.25 -53.33 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 0.819 . . . . 0.0 109.571 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.475 ' CB ' ' HD3' ' A' ' 118' ' ' LYS . . . -153.98 -171.09 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -166.91 105.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 6.9 mt -133.16 144.57 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -47.55 157.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.11 152.4 31.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.1 t -148.31 148.55 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.46 -75.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 154' ' ' GLU . 23.8 m -71.89 81.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -52.1 89.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 152' ' ' THR . 1.8 mm-40 -56.21 -50.8 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . 0.447 ' CA ' HG23 ' A' ' 158' ' ' VAL . . . -137.79 71.85 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.54 -12.55 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.12 -17.86 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.447 HG23 ' CA ' ' A' ' 155' ' ' GLY . 26.7 m -87.86 -4.99 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.64 -30.05 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -61.48 -34.96 76.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -55.02 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -43.82 -40.02 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.9 -45.5 64.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 53.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.58 -45.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 28.9 p -75.55 -14.44 60.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.079 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.7 114.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -84.4 155.0 30.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.9 pp -50.96 175.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.625 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -113.9 169.83 8.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.66 -177.79 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 113.3 1.02 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.458 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -178.0 132.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 111.017 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -174.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.19 131.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.326 1.016 . . . . 0.0 109.375 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 12' ' ' ILE . 59.5 t -90.32 151.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.405 ' N ' HG11 ' A' ' 11' ' ' VAL . 71.2 mt -142.16 69.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . . . -61.57 -167.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.88 -170.5 16.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.67 157.7 38.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 142.07 27.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 72.42 71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' CB ' ' HE2' ' A' ' 93' ' ' MET . . . -168.04 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' SER . . . -179.02 -124.51 0.88 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.7 -75.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' GLY . 99.8 p -50.26 -31.47 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -83.14 -48.96 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.96 -66.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -41.11 -60.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.81 -50.74 25.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.31 -48.18 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.32 53.38 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.74 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 -56.07 0.71 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -61.06 143.97 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -60.06 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 148.86 28.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.45 125.87 52.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mt -125.12 110.69 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.68 138.57 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.8 p -112.5 129.78 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -99.31 78.96 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.26 140.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.01 54.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -141.67 126.78 3.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -84.9 93.45 8.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 0.741 . . . . 0.0 110.434 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.3 p -46.12 145.12 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -48.44 68.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.474 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 2.5 p30 -66.4 -17.86 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 44' ' ' ASP . 9.1 p 47.69 30.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -123.28 65.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 13.39 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.48 42.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.8 t60 50.14 -172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 0.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 58' ' ' HIS . 4.0 pt -144.53 83.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.884 ' HE2' ' HD2' ' A' ' 53' ' ' ASP . 13.1 t-160 -42.68 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 tp -125.95 102.11 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.626 1.204 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.884 ' HD2' ' HE2' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -99.03 96.74 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.69 -75.63 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.75 147.9 60.27 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.454 0.738 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -38.46 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.08 90.61 0.86 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.484 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -176.55 90.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 109.637 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.35 130.31 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 59.3 mt -109.52 165.92 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' N ' ' CG2' ' A' ' 60' ' ' ILE . 11.3 m-20 -139.6 131.75 28.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 78.4 p -114.09 50.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.458 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.09 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 65' ' ' LEU . . . 88.44 20.27 49.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -171.8 177.31 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.86 -21.09 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.43 -48.93 8.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.99 -4.55 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.69 -52.65 8.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.57 -43.71 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.21 -47.3 62.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -72.4 -21.01 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.14 49.17 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -167.64 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.42 27.14 21.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.7 mt 44.87 86.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.23 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -155.73 160.45 40.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.245 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.97 168.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.247 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.13 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -101.81 -175.4 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 108.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.88 -175.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.27 156.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 72' ' ' VAL . 97.0 mt 64.34 151.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 86' ' ' GLN . 38.1 tt0 -136.07 -62.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.5 mt-30 166.13 145.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.48 161.73 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.45 42.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.423 ' NH1' ' O ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -175.66 126.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 7.3 p -130.63 99.1 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.33 89.14 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -88.78 105.59 17.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.448 ' HE2' ' CB ' ' A' ' 18' ' ' ALA . 3.0 ptm -96.22 162.03 13.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -136.47 176.24 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 2.9 t0 -119.3 114.74 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASP . . . 36.97 -150.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.6 t -83.8 2.45 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.362 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 p -78.82 87.25 4.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 m -104.28 69.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -166.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.69 37.34 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.7 p -116.73 -35.67 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.568 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.13 -48.68 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -75.01 -2.83 13.05 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -102.88 -9.17 20.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.94 -0.37 14.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 139' ' ' GLU . 4.0 tt -92.75 -7.45 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.471 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -64.98 -55.74 25.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.0 Cg_endo -75.02 55.57 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -169.3 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.455 ' CD1' HG21 ' A' ' 140' ' ' VAL . 13.3 t80 -39.67 -41.74 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -101.33 113.21 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.449 ' HB3' ' CD2' ' A' ' 115' ' ' LEU . . . 172.15 -178.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -105.42 -18.14 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 113' ' ' ALA . 1.5 pt? -81.65 141.91 48.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.8 Cg_endo -74.92 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.13 130.81 18.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.33 124.11 48.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -116.49 134.46 22.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 57.2 mt -141.74 -49.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.5 m 69.64 74.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.634 1.209 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' ' 124' ' ' VAL . 9.1 p -56.62 -56.18 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.49 ' C ' ' O ' ' A' ' 123' ' ' VAL . 17.8 m 34.15 -147.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.208 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.44 ' N ' HG21 ' A' ' 124' ' ' VAL . 6.6 mtt85 -61.57 114.42 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.72 59.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -78.59 -173.71 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.21 55.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 133' ' ' GLU . 30.8 m-20 -149.97 -45.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -39.32 -33.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.419 ' N ' ' C ' ' A' ' 129' ' ' ASP . 6.7 m -83.66 -52.68 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.33 -11.56 34.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 129' ' ' ASP . 25.2 tp10 -99.22 -52.94 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -41.63 -43.4 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -31.55 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.75 -42.83 53.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 61.76 3.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.47 43.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 5.1 pt-20 -102.65 102.82 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 72.33 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -81.76 114.02 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.95 -110.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.85 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 0.731 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -109.74 -34.8 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 28.8 mt 45.87 71.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.7 mt -129.72 147.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 168.81 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.233 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.32 -177.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.44 156.58 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.04 -84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -61.55 -71.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 32.6 m -72.32 60.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -54.14 98.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.33 -51.37 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -127.23 73.92 0.44 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.1 t -95.45 -23.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 160' ' ' ARG . 3.1 p30 -73.39 -44.15 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 28.0 m -40.3 -42.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.06 -47.32 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.0 OUTLIER -51.28 -55.78 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -50.41 -44.06 54.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.423 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 46.5 m-70 -94.2 50.19 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.24 -50.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.62 1.2 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -14.75 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.92 -32.39 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -65.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.433 ' HB3' ' CB ' ' A' ' 8' ' ' MET . 3.0 mmm -146.07 157.63 43.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -171.13 -46.48 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -35.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 71.8 147.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.3 119.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.96 175.89 20.57 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.1 -176.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -120.08 160.12 23.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.237 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.13 108.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.7 p -88.8 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.446 ' CD1' ' N ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -133.38 129.95 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.65 130.65 53.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.54 143.55 8.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.26 157.12 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.43 5.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.817 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 169.63 164.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 17' ' ' ASN . . . 79.9 58.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 -107.43 2.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptm 71.58 -77.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.407 0.71 . . . . 0.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -72.97 -35.95 67.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.45 -55.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -40.29 79.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.52 -66.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.16 -53.77 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.73 -59.47 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ARG . . . 112.52 -50.8 0.74 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 6.9 mtt180 -38.86 112.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -38.87 -58.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.56 99.48 10.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.44 168.25 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.746 HG22 ' HE2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -128.03 127.22 67.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.94 127.15 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.8 p -125.64 120.38 30.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.396 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 105.52 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -168.28 145.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.407 ' N ' HD12 ' A' ' 38' ' ' ILE . . . -83.7 60.49 5.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.96 -44.85 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.0 m 51.48 49.24 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.3 142.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -12.17 60.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.61 -2.69 54.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG21 ' CB ' ' A' ' 68' ' ' ALA . 69.8 t 66.56 -68.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' ASP . 12.1 tp -38.36 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.38 17.36 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' OE1' ' CD1' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -125.02 52.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.746 ' HE2' HG22 ' A' ' 34' ' ' ILE . 36.8 m80 45.41 -169.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 tp -123.14 144.02 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.827 ' NE2' ' HE ' ' A' ' 160' ' ' ARG . 13.1 t-160 -105.21 101.08 10.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.95 121.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -55.83 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.92 27.51 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.21 162.71 21.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.73 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.11 37.68 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -117.14 102.06 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.58 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.54 143.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 8.2 mt -124.06 -66.36 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 60' ' ' ILE . 1.5 m-20 81.52 97.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 53.7 m -45.79 -48.91 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.063 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.5 -162.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.77 -85.74 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.39 137.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 mtt85 61.21 -90.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.435 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -47.34 -33.93 6.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.7 m -81.34 52.31 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -166.67 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -33.24 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.8 m -64.65 -17.53 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.178 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.57 -34.17 12.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -70.31 -44.76 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.96 -40.21 88.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 77' ' ' ILE . . . -86.7 6.54 82.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.405 ' CG1' ' C ' ' A' ' 76' ' ' GLY . 1.2 pt 39.82 85.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -161.01 87.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.05 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.66 -54.69 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.16 103.34 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -93.12 -75.83 0.49 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.64 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER 62.13 141.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -102.86 170.8 7.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.115 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -102.82 128.6 49.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.33 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.87 54.07 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 175.73 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 53.4 t -103.0 134.49 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD21 ' CE ' ' A' ' 93' ' ' MET . 14.9 tp -137.61 113.96 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.17 122.91 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.437 ' CE ' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -80.71 154.96 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -149.68 142.95 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -66.93 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.31 -75.2 0.2 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 97' ' ' THR . 3.2 m -103.76 41.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 0.81 . . . . 0.0 110.389 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.3 p -123.05 141.56 51.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -141.9 146.46 35.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -167.2 -167.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.94 17.46 24.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.25 -29.33 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.587 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.79 -47.7 3.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.186 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.1 -11.32 21.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.85 59.33 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.408 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 0.9 OUTLIER 171.96 -32.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.3 pp -77.68 -39.58 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -56.99 -59.74 11.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.046 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.97 -60.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.54 ' CD2' HG23 ' A' ' 140' ' ' VAL . 3.3 t80 -37.1 -40.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 41.8 mm -69.29 78.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -172.92 162.52 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.88 61.14 1.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.02 142.03 12.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 142.39 27.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.72 120.32 21.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 1.4 mtmm -84.11 170.64 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.7 tp -141.39 117.19 7.25 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.48 14.33 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.3 mm -109.34 137.38 41.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.8 t -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.16 42.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ARG . 11.8 p -85.29 78.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' VAL . 0.0 OUTLIER 35.48 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 125' ' ' ARG . 15.7 t-20 -50.18 -72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER 39.93 83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 44.42 27.28 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER 64.68 128.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 130' ' ' ILE . 1.8 pp -106.4 54.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.232 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.3 m -140.61 -63.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -38.75 -49.94 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.97 -49.3 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 11.0 m -39.85 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.78 -15.59 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.64 -45.72 82.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.1 ptp -86.12 60.8 6.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.5 p -103.63 36.45 2.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -42.91 -54.57 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.54 HG23 ' CD2' ' A' ' 111' ' ' PHE . 54.0 t -121.9 146.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -63.92 79.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -48.13 135.23 17.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -43.9 -49.88 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.507 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.08 167.96 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 46.2 mt -126.27 110.79 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 13.0 mm -136.18 139.27 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -80.26 148.14 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.1 tp -132.06 136.31 47.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 t -109.54 -33.88 6.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 72.35 -61.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -41.15 -62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 5.4 t -107.99 17.39 22.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 39.92 68.44 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -121.12 42.49 1.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.2 p -70.76 -11.5 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.53 -29.57 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 33.4 t -66.2 -37.54 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 16.3 mt -91.84 21.6 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.827 ' HE ' ' NE2' ' A' ' 51' ' ' HIS . 7.8 tpt180 -123.79 -41.93 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -70.37 -57.08 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.66 -27.19 68.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 tt -67.88 -49.37 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.05 -25.59 65.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.183 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -45.55 61.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 13.9 t -49.66 -44.53 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.1 mtm -52.68 104.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 -177.05 21.97 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 5.7 mt -64.85 144.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.61 141.22 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.0 170.34 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 120.97 0.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.25 163.28 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -109.51 157.24 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' A' ' 163' ' ' LEU . 9.8 p -143.3 145.96 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -117.26 147.87 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.9 mt -129.0 73.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.59 160.38 28.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.94 168.57 24.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.07 155.87 92.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.12 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.44 75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.062 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.15 -48.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.5 68.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -116.19 -40.22 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -67.43 -55.65 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m -57.75 -44.61 86.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -48.25 73.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -50.44 -49.92 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -44.2 -53.73 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.8 -60.15 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.36 69.56 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 178.09 -65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.48 -117.67 2.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 39.27 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -40.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.38 -72.73 0.12 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 71.01 95.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -124.92 123.89 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -110.66 152.56 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.2 p -106.61 136.99 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -97.76 71.99 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.9 153.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.34 -43.89 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.31 127.68 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 p -77.32 111.92 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.0 m -63.6 113.31 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -56.5 -39.97 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -63.87 -14.11 50.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 44' ' ' ASP . 25.4 t 67.74 -60.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' ASP . 14.1 tp -38.32 98.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -138.26 14.99 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 53.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.1 m170 46.47 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.629 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -135.51 88.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -51.46 99.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.578 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 2.4 mp -63.6 -83.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 3.2 t70 77.35 -60.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.61 -96.46 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -115.83 159.38 39.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.767 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.21 2.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.454 1.765 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 72.91 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -156.35 117.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.582 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.67 122.72 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.2 mt -109.63 152.39 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.83 112.94 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 75.8 p -83.92 67.63 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.426 ' CB ' HG23 ' A' ' 84' ' ' ILE . . . -54.0 174.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.33 -58.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.579 1.174 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.9 165.44 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.384 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.57 -51.1 64.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.74 -62.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.25 -57.99 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.47 -32.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -89.78 -49.95 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.55 -50.64 52.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.9 m -54.65 -49.54 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.7 -24.51 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.365 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -75.48 -34.57 60.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.236 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.1 mm -75.89 -31.04 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.13 8.05 80.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.0 mm 50.14 63.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -174.44 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.67 156.36 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.75 -58.32 8.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -91.86 114.6 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -166.43 134.33 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -69.8 144.37 52.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.426 HG23 ' CB ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -142.13 128.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.234 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.55 154.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.69 175.84 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.3 135.27 38.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.61 -54.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 166' ' ' SER . 58.2 mtt180 -125.87 137.35 53.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.03 148.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.461 HD12 ' HZ3' ' A' ' 118' ' ' LYS . 1.6 mm? -114.74 68.98 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.517 ' CE1' HG12 ' A' ' 107' ' ' ILE . 5.3 t80 -62.83 107.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 mmt -98.3 121.61 40.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.9 t -131.72 135.1 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.58 -36.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 122' ' ' THR . . . 81.85 29.25 39.24 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.7 m -155.81 -47.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 98' ' ' THR . 3.7 t -97.58 117.97 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.9 m -111.38 71.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 110.393 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.33 178.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.58 3.82 42.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.7 t -99.39 -30.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -54.1 -51.68 75.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.05 -11.48 21.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.54 -9.05 58.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.71 8.23 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.517 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -109.6 -34.64 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.213 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.473 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.77 -56.57 9.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 109' ' ' PRO . 3.3 mt-10 -166.63 -50.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.353 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -39.73 -46.59 1.91 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.459 ' C ' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -84.45 96.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.87 -164.4 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.3 51.96 1.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.87 142.68 15.32 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 158.58 41.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.51 164.56 27.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HZ3' HD12 ' A' ' 91' ' ' LEU . 11.9 mttp -115.26 145.46 42.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 118.56 5.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.424 ' CB ' ' HA ' ' A' ' 147' ' ' ARG . 18.3 Cg_endo -74.96 147.3 33.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 12.6 mm -75.24 -125.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 96' ' ' GLY . 1.5 t -177.35 138.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.455 ' HA ' ' CD1' ' A' ' 130' ' ' ILE . 11.1 p -148.74 36.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.9 m -112.88 175.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.49 -161.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -61.46 -178.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -94.91 -50.99 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.8 75.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.15 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 123' ' ' VAL . 3.4 pt -93.09 22.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -115.61 -49.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.64 -66.55 2.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -42.04 -42.92 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 0.808 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -47.06 -80.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.452 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.85 -41.06 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.47 -45.25 29.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 95.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.9 t -149.76 52.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -62.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.27 147.44 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -46.79 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 64.13 145.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 162' ' ' HIS . 22.8 t-160 -96.21 -54.94 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -107.67 150.14 27.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.0 mt -143.44 60.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.8 mm -122.32 135.93 60.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.424 ' HA ' ' CB ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -70.63 179.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 110.345 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 179.81 154.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 153' ' ' GLY . 6.0 p -133.66 100.91 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.012 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -43.49 -60.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 10.0 t -126.91 15.97 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 50.61 71.55 0.62 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -60.75 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.2 69.45 0.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 39.0 t -88.68 -32.08 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.16 47.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 7.3 mt -152.4 -48.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -19.69 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 164' ' ' LYS . 63.5 m-20 -71.66 -70.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 143' ' ' HIS . 3.4 m-70 -40.07 -48.72 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.407 ' CD2' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -49.55 -48.04 48.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 161' ' ' ASN . 0.0 OUTLIER -87.12 47.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -145.67 -46.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.241 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 89' ' ' ARG . 60.1 p -70.12 -22.16 63.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -58.76 132.74 54.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -98.55 158.38 20.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 pt -76.95 96.7 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.556 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.4 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.22 132.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.83 166.44 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.2 115.16 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.481 ' CB ' ' HB3' ' A' ' 167' ' ' MET . 0.0 OUTLIER 176.87 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' CG1' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -107.22 -162.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 9' ' ' LYS . 1.4 m -150.75 -174.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 p -135.05 128.74 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.443 ' CG2' ' HG ' ' A' ' 91' ' ' LEU . 2.6 pp -129.9 113.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.03 159.36 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.01 -166.14 33.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 135.55 1.36 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.68 33.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.1 t30 42.19 64.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.98 32.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.27 60.57 1.05 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.112 . . . . 0.0 111.046 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 -64.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 0.811 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -59.58 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.87 -37.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -56.88 15.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.393 1.058 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -48.01 -54.38 13.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -43.1 -50.62 6.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.7 -58.94 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 tp -50.99 -66.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -45.92 -59.08 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.31 59.41 7.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -115.58 115.42 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.384 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -39.28 111.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.84 90.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.28 -178.93 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 tt -138.63 110.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.193 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.0 133.33 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 p -112.11 173.02 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -131.02 81.93 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.18 143.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.27 -58.38 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.75 38.91 3.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m 42.6 -157.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 0.736 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -141.34 141.67 33.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.9 84.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -4.83 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.7 p 43.22 31.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -107.63 76.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.72 11.47 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' HIS . 25.5 mm-40 -106.7 23.64 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLU . 60.8 m80 46.65 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.535 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.517 ' N ' ' CD1' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -139.46 149.16 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.471 ' CE1' ' NH2' ' A' ' 160' ' ' ARG . 6.7 t-80 -125.75 140.93 52.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 tp -142.71 97.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.07 95.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.7 -128.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.64 120.17 5.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.25 14.96 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.9 70.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -157.21 135.22 10.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.5 mm -139.75 114.47 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.3 mt -95.46 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 3.5 p-10 -144.67 148.71 34.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 43.3 p -110.72 69.0 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.61 -96.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 55.01 19.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.24 163.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -24.74 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -93.3 -49.43 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' VAL . . . -55.76 -39.27 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.619 1.199 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -47.55 -33.56 6.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -80.61 -67.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.85 -23.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' ALA . 4.7 t -67.5 -43.56 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -36.64 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -66.65 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -23.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.97 4.82 84.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm 50.94 64.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.09 -178.68 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' TRP . 2.3 mtm180 -97.43 134.58 40.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 66.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.383 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -155.36 -53.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -46.08 128.98 9.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -56.29 178.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.439 ' CD1' ' OD1' ' A' ' 61' ' ' ASP . 5.2 tp -155.73 119.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.447 ' HG2' ' CE1' ' A' ' 170' ' ' HIS . 1.1 mm-40 -53.15 132.19 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -88.28 156.49 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.92 171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.499 ' OD1' ' CE ' ' A' ' 167' ' ' MET . 41.9 m-20 -156.88 -53.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.734 ' NH2' ' HD1' ' A' ' 143' ' ' HIS . 5.8 tpt85 -100.93 148.77 24.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.358 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 91.8 t -139.8 161.79 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' HG ' ' CG2' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.4 103.69 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 35.3 p90 -107.42 107.85 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 150.97 43.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.85 130.06 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.27 103.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.211 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.82 -128.44 1.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.403 ' CG2' ' CG2' ' A' ' 122' ' ' THR . 37.5 p -110.99 78.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.8 p -123.11 121.21 35.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -107.27 107.12 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.31 176.73 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.9 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.9 p -94.46 2.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.53 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.66 -51.19 3.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.99 1.02 8.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.446 1.761 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -47.8 -31.03 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -149.15 57.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 103' ' ' ASP . 62.8 mt -131.11 -61.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.502 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.4 OUTLIER -40.92 -53.92 5.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -160.76 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' ALA . 6.8 mm-40 68.3 -68.74 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.512 ' CG ' HG13 ' A' ' 140' ' ' VAL . 7.7 t80 -46.71 -26.22 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.3 pt -68.44 -39.16 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 110' ' ' GLU . . . -63.31 -172.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 114' ' ' ARG . 4.0 ttm105 -101.57 66.77 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -169.7 112.71 0.49 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.84 42.97 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.26 147.89 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.406 ' HG2' ' CB ' ' A' ' 144' ' ' ALA . 17.1 mttp -83.73 156.92 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.81 131.17 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.77 36.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.427 HD12 ' CG2' ' A' ' 134' ' ' THR . 1.2 mm -133.85 122.93 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 130' ' ' ILE . 9.9 t -78.13 140.96 39.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.8 p -148.07 51.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.6 p -145.65 -169.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 41.45 -161.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.74 174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -101.98 -35.76 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.57 50.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.63 -45.97 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.418 ' HA ' ' CG2' ' A' ' 122' ' ' THR . 4.3 mt -45.16 -32.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' GLY . 13.1 t -102.9 -24.69 13.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' THR . . . -35.66 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.4 49.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.427 ' CG2' HD12 ' A' ' 121' ' ' ILE . 47.2 m -115.9 -49.98 2.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -39.41 20.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -88.21 42.84 3.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.97 81.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' GLU . 0.5 OUTLIER -43.5 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.969 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 140' ' ' VAL . 0.6 OUTLIER 37.93 84.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.531 ' CG2' ' N ' ' A' ' 141' ' ' ASN . 1.1 m 38.23 -157.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . 0.531 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 4.4 p-10 -104.11 101.17 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.32 144.7 32.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.108 . . . . 0.0 110.961 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.734 ' HD1' ' NH2' ' A' ' 89' ' ' ARG . 11.5 t-80 -102.18 -37.33 8.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.624 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.406 ' CB ' ' HG2' ' A' ' 118' ' ' LYS . . . -143.51 122.66 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -111.48 79.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 147' ' ' ARG . 3.4 mp -115.6 162.5 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.422 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 0.2 OUTLIER -120.14 170.03 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -173.9 154.01 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 151' ' ' ARG . 11.8 t -115.7 -0.14 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 64.77 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.2 OUTLIER -39.95 -50.6 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 11.1 m -83.13 -60.88 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.63 39.84 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 154' ' ' GLU . 4.7 pt-20 -81.99 67.59 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.03 59.77 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' LEU . 54.0 t -116.16 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.59 58.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.51 -24.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 156' ' ' VAL . 0.7 OUTLIER -91.43 -34.22 14.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.471 ' NH2' ' CE1' ' A' ' 51' ' ' HIS . 25.8 ttt180 -62.59 -26.49 68.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -74.67 -42.15 58.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -70.31 -11.57 61.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.524 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.1 mp -91.02 8.25 36.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.05 -46.7 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -33.6 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 6.0 p -46.7 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.499 ' CE ' ' OD1' ' A' ' 88' ' ' ASP . 4.3 tpp -135.05 115.2 13.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -113.41 -84.73 1.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.7 mt -41.39 120.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.447 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 55.9 t60 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.471 ' CD2' HG22 ' A' ' 169' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 106.9 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -176.94 6.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.02 134.89 3.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttp -173.69 142.66 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -101.36 162.96 12.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.6 p -127.6 158.7 38.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.199 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 90' ' ' VAL . 10.8 p -120.41 138.55 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -132.5 77.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.78 156.99 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.33 160.73 10.0 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 102' ' ' VAL . 15.6 ttt180 -42.37 135.2 2.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.05 6.47 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 51.86 36.56 18.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.44 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.34 53.24 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.544 1.153 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -98.16 -33.87 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -43.84 80.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -57.46 -61.51 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.8 -40.54 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -41.91 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 26' ' ' ALA . 2.2 p-10 -49.72 -48.9 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.481 ' N ' ' ND2' ' A' ' 25' ' ' ASN . . . -43.29 -49.79 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.23 68.54 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.07 -59.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.58 -44.85 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' CZ ' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -45.99 114.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.2 mm-40 -38.39 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.46 -78.01 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 73.84 -175.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 tp -140.67 143.58 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' THR . 5.1 p -159.17 164.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 82.95 -168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 36' ' ' THR . 5.9 m-20 60.04 41.63 17.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 mm -124.92 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.15 111.51 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 41' ' ' THR . . . 106.75 6.34 35.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' GLY . 5.6 p 43.09 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 43' ' ' ARG . 4.9 t -113.83 179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.066 . . . . 0.0 110.459 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 42' ' ' THR . 0.0 OUTLIER -92.88 8.74 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 46' ' ' LEU . 77.2 m-20 -127.92 5.92 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 62' ' ' THR . 14.8 p 39.31 32.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.411 ' N ' ' C ' ' A' ' 44' ' ' ASP . 4.1 tp -120.36 73.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -113.0 -3.24 14.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.07 29.65 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 t-80 55.96 -155.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.556 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.477 ' C ' ' CD1' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -167.53 108.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.639 ' NE2' ' HD2' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -57.53 141.57 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' GLY . 2.1 pp -96.57 -42.62 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.639 ' HD2' ' NE2' ' A' ' 51' ' ' HIS . 0.4 OUTLIER 70.13 -62.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -90.58 -99.68 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.64 128.94 44.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 62.98 5.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.75 88.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.96 137.87 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.41 146.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 9.3 mm -130.14 -70.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . 0.2 OUTLIER 65.14 103.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.46 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 2.9 t -86.68 116.05 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.46 -96.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 25.68 56.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tp -162.64 169.73 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -32.94 32.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 1.69 49.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -32.89 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -50.45 71.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -67.97 -24.42 65.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.81 -31.98 31.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 61' ' ' ASP . 2.2 t -71.23 -31.28 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 81' ' ' TRP . 7.3 pt-20 -95.33 39.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 -46.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.5 tp -57.78 -29.06 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.39 11.24 59.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 9.5 mm 43.59 79.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 0.735 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -147.09 86.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 78' ' ' GLU . 0.6 OUTLIER 43.47 -166.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.09 54.49 1.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.425 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -176.38 69.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.065 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.19 151.5 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.88 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 tp -155.33 39.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 45.08 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.351 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.23 176.39 8.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.32 134.2 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.48 12.6 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.526 ' NH2' ' HD1' ' A' ' 143' ' ' HIS . 0.0 OUTLIER 175.19 135.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.454 ' CG2' HG12 ' A' ' 11' ' ' VAL . 4.0 p -125.9 147.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.74 102.43 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -66.19 -164.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.7 mmm -137.14 -76.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.51 -175.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -118.33 -40.36 2.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.67 -54.11 0.77 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 t -127.91 32.32 4.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.566 0.803 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -128.8 142.95 50.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.7 t -134.1 137.78 44.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.86 -168.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.09 -23.38 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -95.52 -8.78 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.512 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.33 -52.13 4.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.1 Cg_endo -75.07 -20.11 17.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.33 2.64 43.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.96 -7.66 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -110.55 -12.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.563 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 4.4 m95 -63.47 -50.59 72.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -74.94 2.09 6.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.45 ' OE1' ' CG2' ' A' ' 90' ' ' VAL . 1.7 mm-40 -101.93 -51.86 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -37.76 -50.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.0 pt -75.59 83.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.38 161.28 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.44 -10.23 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 153.64 85.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.65 20.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -118.13 159.07 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -136.58 129.02 30.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -115.08 119.69 38.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.366 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.26 37.72 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.47 99.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.5 m -71.86 155.07 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.487 ' O ' ' CG1' ' A' ' 123' ' ' VAL . 8.5 p -125.37 98.55 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.8 p -151.46 169.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 126' ' ' ASN . 8.2 mtt85 54.67 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 125' ' ' ARG . 74.8 m-80 -39.37 144.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -76.71 -16.27 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.33 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -41.17 -55.47 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -84.22 86.27 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 132' ' ' GLY . 0.9 OUTLIER 174.63 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.413 ' N ' ' CG2' ' A' ' 131' ' ' THR . . . -53.66 -34.31 50.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -51.08 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.503 ' CG2' HG12 ' A' ' 130' ' ' ILE . 25.2 p -45.88 -53.74 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.7 -52.33 21.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.218 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -44.48 -47.98 8.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.2 ttt -58.2 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.67 64.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -70.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 142' ' ' GLY . 8.1 p -97.43 147.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.38 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -67.43 116.26 7.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.526 ' HD1' ' NH2' ' A' ' 89' ' ' ARG . 11.5 t-160 -46.39 -54.71 8.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.632 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -147.08 163.26 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.89 119.27 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.7 pt -141.84 164.91 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -77.34 169.55 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.51 152.49 34.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.57 -44.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 74.05 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -49.59 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 20.0 m -94.67 -43.52 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.97 -86.06 0.37 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.02 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.8 50.83 0.86 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.9 p -88.93 -8.08 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.34 -22.69 12.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.24 -65.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 4.1 pp -56.46 -26.51 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -68.58 -29.29 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -85.0 0.34 51.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.418 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 30.9 m80 -108.98 14.73 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.539 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.61 -43.51 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.375 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -63.07 -30.17 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -72.54 -43.2 63.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.36 79.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 61.3 mtp -40.83 121.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -89.56 146.68 19.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.471 HG22 ' CD2' ' A' ' 4' ' ' LEU . 6.0 mt -75.06 104.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 20.4 t60 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.647 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -142.43 136.96 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -115.39 154.86 28.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.21 162.95 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 0.732 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' CE ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -127.01 116.82 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 11' ' ' VAL . 51.5 t -100.9 139.83 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 87' ' ' ALA . 2.4 p -97.25 123.78 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CD1' ' OE2' ' A' ' 48' ' ' GLU . 79.7 mt -101.99 91.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.44 162.9 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.29 -99.68 0.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.37 156.66 1.21 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 0.717 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.538 1.809 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.79 78.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.28 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.5 53.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.55 -54.34 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.0 p -76.02 -14.41 60.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -50.67 11.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' LEU . 22.6 mt -53.69 -38.22 64.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.4 mp -39.78 -70.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -70.47 61.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -165.93 -46.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mt -94.82 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.22 -61.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.63 35.57 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.503 ' NH1' ' HE2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -83.46 -23.2 32.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.02 -62.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.22 78.78 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.99 -175.91 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 1.051 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -136.65 132.06 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.93 106.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.7 p -86.13 109.91 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.434 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 87.16 4.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 tp -134.32 157.26 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -101.08 -48.64 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.63 93.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' ALA . 3.2 m -45.31 124.37 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -59.62 132.4 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.16 -29.16 60.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.363 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.575 ' HD2' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -82.79 -10.64 58.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 62' ' ' THR . 47.6 t 69.7 -58.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' VAL . 5.5 tp -37.65 98.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.6 -41.12 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' OE2' ' CD1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -75.08 56.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.503 ' HE2' ' NH1' ' A' ' 30' ' ' ARG . 10.5 t60 41.72 -162.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.1 tp -176.19 67.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.06 144.95 52.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.552 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.71 85.95 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 -45.14 -49.62 11.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -37.57 -53.68 1.81 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.54 117.87 0.19 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.62 -48.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -101.1 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -126.17 145.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.444 ' CG2' ' HD2' ' A' ' 9' ' ' LYS . 6.7 mt -102.55 160.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.474 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 29.6 m-20 -111.43 113.69 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.466 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 95.8 m -96.53 56.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.05 -168.82 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.69 55.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.31 148.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -47.4 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -58.56 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.32 -56.59 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.1 t -40.81 -52.42 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.044 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.03 -50.74 53.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -47.42 -47.05 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.213 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 61' ' ' ASP . 9.7 p -72.66 -32.0 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.48 57.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.5 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.84 -10.32 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.56 24.42 9.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.1 mt 57.35 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.767 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -132.79 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.33 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -50.73 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -175.3 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -146.28 132.62 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -139.14 -69.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.93 118.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.82 94.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -177.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.03 141.63 45.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.467 ' CB ' HG13 ' A' ' 11' ' ' VAL . . . -44.2 135.56 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.03 15.78 21.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.469 ' NH2' ' CG ' ' A' ' 116' ' ' PRO . 1.0 OUTLIER -158.39 143.14 16.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 t -132.02 134.89 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.31 80.49 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.59 171.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.0 tpt -154.95 131.72 10.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.08 114.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -42.22 135.29 2.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.08 -23.75 2.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.2 p -73.7 -134.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.5 p -86.01 -154.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.6 p -117.54 -120.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.13 -179.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.64 -26.24 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.222 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 t -91.98 1.33 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.499 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -71.51 -52.84 8.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.05 -8.27 19.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.542 1.811 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.87 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.32 19.4 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -105.45 -28.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.479 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -65.78 -55.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 107.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.08 63.72 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.17 -61.65 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.411 ' HB3' ' CG2' ' A' ' 140' ' ' VAL . 53.1 p90 -86.78 38.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.6 pt -129.21 39.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.1 148.69 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -68.51 79.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.06 138.48 0.7 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.469 ' CG ' ' NH2' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.06 149.8 36.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -130.05 119.41 23.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.519 ' HZ3' ' CD2' ' A' ' 159' ' ' LEU . 0.0 OUTLIER -107.94 143.33 36.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.362 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.42 135.6 27.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 158.07 42.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 122' ' ' THR . 85.6 mt -120.58 166.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.463 ' N ' ' CG2' ' A' ' 121' ' ' ILE . 98.2 m -69.74 142.11 53.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.436 ' O ' ' HB ' ' A' ' 124' ' ' VAL . 8.9 p -55.22 -16.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' A' ' 123' ' ' VAL . 1.9 t 68.4 134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 124' ' ' VAL . 3.0 ttp85 166.77 -29.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -132.64 151.92 51.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER 76.39 56.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' LYS . . . 38.4 33.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 127' ' ' LYS . 19.2 m-20 69.5 130.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLY . 2.9 tp -54.21 -18.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 130' ' ' ILE . 1.3 m -35.72 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -67.13 -58.34 8.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -60.34 -62.66 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 135' ' ' LEU . 14.7 t -38.4 -51.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 134' ' ' THR . 9.0 mt -48.79 -49.66 37.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' GLU . . . -83.07 51.41 4.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.2 ttm -157.68 47.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.4 m -103.71 61.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -52.88 5.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 111' ' ' PHE . 4.4 p -108.92 142.61 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -44.38 100.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -38.01 -57.34 1.68 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.403 ' ND1' ' HB2' ' A' ' 116' ' ' PRO . 6.5 t-80 75.26 -58.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.578 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.14 133.83 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.45 ' HB3' ' CD1' ' A' ' 121' ' ' ILE . 30.7 mt -132.97 90.78 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.38 124.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.07 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.5 mt -150.48 163.74 37.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 150' ' ' ALA . 89.7 p -136.14 -45.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 149' ' ' SER . . . 83.77 -58.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -43.22 -54.72 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 75.6 p -127.62 26.78 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.431 ' CA ' HG11 ' A' ' 156' ' ' VAL . . . 39.71 85.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' ' 149' ' ' SER . 18.7 tp10 -48.47 -52.7 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 0.735 . . . . 0.0 110.227 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -148.58 47.91 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.431 HG11 ' CA ' ' A' ' 153' ' ' GLY . 34.5 m -54.7 -44.21 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -55.15 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 53.5 t -41.76 -40.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.519 ' CD2' ' HZ3' ' A' ' 118' ' ' LYS . 46.1 mt -68.31 -50.26 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -51.49 -45.09 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.18 -56.29 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -58.14 -25.47 61.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.577 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.72 43.44 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.47 -48.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -55.03 -46.16 75.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 167' ' ' MET . 89.9 p -59.42 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.401 ' N ' ' OG ' ' A' ' 166' ' ' SER . 10.0 mmt 48.74 -174.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.1 108.03 0.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.09 120.59 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER 82.0 144.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.33 -174.84 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.61 169.96 12.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.503 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER 179.46 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.503 ' N ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER 75.65 106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.471 HG13 ' CD2' ' A' ' 163' ' ' LEU . 78.6 t -103.0 144.58 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.78 126.03 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 pt -99.56 94.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.9 124.65 42.42 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.511 ' H ' ' HZ3' ' A' ' 20' ' ' LYS . . . -174.92 156.29 22.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 154.89 83.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.06 145.83 31.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.3 t30 81.81 29.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.12 -40.92 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.8 -93.78 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.405 1.066 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.511 ' HZ3' ' H ' ' A' ' 14' ' ' GLY . 11.9 mtpp 52.13 -94.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.3 m -39.33 -58.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -53.11 -44.02 67.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -65.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.1 tm? -42.61 -52.1 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -43.22 -49.39 6.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.52 -53.54 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -48.9 -66.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.18 -57.35 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.65 47.22 6.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' NH1' ' HD1' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -92.55 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -40.63 -54.97 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -114.66 -68.71 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 32' ' ' ALA . . . 77.7 110.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.2 mt -78.95 147.34 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.61 128.18 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -124.78 136.73 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -128.98 81.46 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.47 135.52 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.05 63.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.58 124.77 1.61 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -75.25 -7.45 53.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m 59.96 116.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.81 -41.37 95.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -77.48 -1.93 32.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 2.7 t 65.69 -71.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -39.34 118.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -150.93 30.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -137.64 56.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' HD1' ' NH1' ' A' ' 30' ' ' ARG . 43.5 m-70 54.24 171.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.15 96.8 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.764 ' HE2' ' NE ' ' A' ' 160' ' ' ARG . 52.5 t-80 -54.14 107.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -159.24 124.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -104.1 -30.79 10.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.41 -69.08 0.7 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.85 164.03 35.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.29 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.07 102.19 11.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.51 92.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.41 146.24 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' ASP . 1.9 pt -134.44 -49.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' ILE . 12.4 m-20 60.77 123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 62' ' ' THR . 2.7 t -84.02 110.65 18.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.36 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.66 -134.41 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -64.28 -170.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 0.805 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -41.16 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 1.5 tp10 -87.98 175.89 7.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.484 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . 81.15 -55.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -54.39 -48.66 71.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -51.01 69.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -59.23 -36.29 75.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 40.8 t -56.07 -37.0 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.66 -35.39 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.57 -69.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -44.83 -38.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.44 -172.64 38.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 77' ' ' ILE . 32.0 mt -112.27 50.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.54 141.32 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -43.96 157.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.02 61.64 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 66.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -154.47 138.51 16.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -48.13 174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 tt -155.16 -49.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 63.24 136.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 87' ' ' ALA . 5.9 pm0 -171.97 -157.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 86' ' ' GLN . . . 50.45 75.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.05 -35.29 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 166' ' ' SER . 1.5 mmp_? -141.64 151.27 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.403 ' CG2' HD11 ' A' ' 115' ' ' LEU . 60.3 t -140.84 112.55 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.85 92.83 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' OE2' ' A' ' 106' ' ' GLU . 6.4 t80 -68.92 133.68 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 86.0 mmm -96.2 93.52 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' ASP . 61.1 t -67.66 -41.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 94' ' ' VAL . 1.6 t70 60.97 121.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.25 -162.68 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.8 t -111.19 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 m -79.67 151.18 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -128.34 143.98 51.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.427 ' O ' ' CD ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -161.1 -172.75 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.99 26.7 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' ' CD ' ' A' ' 106' ' ' GLU . 30.4 m -115.05 -30.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.625 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.39 -45.63 5.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -71.06 64.02 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.443 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 7.4 pt-20 166.43 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.18 -13.0 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.586 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -67.72 -62.33 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.14 54.39 3.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -132.54 -55.7 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -87.2 40.66 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.8 pt -118.37 9.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.15 178.63 6.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.89 61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.403 HD11 ' CG2' ' A' ' 90' ' ' VAL . 2.1 pp -142.12 141.79 22.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.84 34.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.22 138.99 28.43 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.62 137.78 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.34 133.46 24.57 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.42 42.8 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.766 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.3 mt -104.37 142.01 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.1 m -94.67 110.05 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 123' ' ' VAL . 7.1 p -125.68 67.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.52 118.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 60.28 146.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 63.73 167.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.72 -48.73 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.92 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.28 -51.99 55.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.1 mm -44.1 -79.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.0 p -39.28 -44.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -50.68 -63.33 4.54 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -50.63 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 m -39.18 -64.24 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.3 mt -96.79 27.77 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.35 13.75 11.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -149.63 40.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.6 t -71.29 59.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -90.52 120.5 31.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 81.5 t 63.11 122.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -52.84 97.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -73.13 128.95 12.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.16 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.424 ' HD1' ' NH1' ' A' ' 89' ' ' ARG . 5.2 t-160 -41.85 -33.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 0.775 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 175.4 177.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.6 mp -142.78 125.27 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.83 121.7 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 156.36 21.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -169.41 -169.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 153' ' ' GLY . 31.4 t -157.29 99.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.04 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -43.25 -34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -61.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.4 t -108.22 15.28 24.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 42.58 55.28 4.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.6 -96.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.57 85.82 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 76.2 t -107.38 -56.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.412 0.713 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.5 -50.95 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 37.6 t -49.41 -54.27 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -48.73 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.764 ' NE ' ' HE2' ' A' ' 51' ' ' HIS . 62.4 ttt180 -48.12 -46.76 34.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -58.29 -40.54 82.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -18.73 65.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 10' ' ' VAL . 11.4 mt -89.98 -36.15 15.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -99.72 45.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -138.87 -48.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.438 ' HB2' ' CG ' ' A' ' 89' ' ' ARG . 41.6 m -87.43 10.68 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -70.73 176.07 4.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -125.69 140.04 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.92 168.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.155 . . . . 0.0 109.576 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -140.35 179.5 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -150.65 171.61 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.466 ' HA2' ' CG ' ' A' ' 167' ' ' MET . . . 149.44 146.92 4.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.49 -176.68 5.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 0.815 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.821 ' HZ3' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -123.44 121.17 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -121.98 127.76 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p -97.99 147.07 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.72 86.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.05 125.21 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.5 93.71 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.18 118.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.95 127.84 11.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.1 t30 81.05 87.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' O ' ' SD ' ' A' ' 93' ' ' MET . . . -169.11 31.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.88 31.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -29.64 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.86 -52.35 30.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.995 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -46.0 -26.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -72.86 -44.17 61.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.0 mp -50.4 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -59.36 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.18 -47.77 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.42 54.55 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -172.19 113.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.4 58.38 2.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -120.14 124.49 45.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -62.39 102.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 61.82 82.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.09 149.75 46.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 pt -85.11 128.9 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.25 141.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -119.26 158.82 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -145.95 86.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 tp -116.99 150.18 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 0.0 109.382 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.9 -42.4 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.94 101.68 0.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.409 1.068 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -39.34 158.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.4 p -100.63 128.04 46.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -59.42 -36.77 76.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' LEU . 2.8 p30 -75.2 -11.58 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 46' ' ' LEU . 65.8 t 69.29 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 45' ' ' VAL . 35.5 tp -34.97 100.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.0 ttm-85 -131.89 11.12 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 1.5 pp20? -131.79 39.49 3.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.437 ' HD1' ' N ' ' A' ' 50' ' ' ILE . 28.0 p80 40.06 -159.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.437 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 8.1 mm -146.55 147.53 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -107.08 123.63 48.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.8 mt -144.87 122.66 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.173 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.09 -59.55 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.23 147.62 60.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -64.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.33 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -105.59 140.31 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.59 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.3 mt -146.71 67.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.8 mt -135.61 139.74 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.02 120.51 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 62' ' ' THR . 8.4 t -78.85 84.64 4.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.76 -157.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 -61.94 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ALA . 4.1 tp -98.61 149.03 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -40.71 -45.39 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.58 -44.99 89.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . -61.49 -54.63 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.4 ' CB ' HD11 ' A' ' 84' ' ' ILE . 0.5 OUTLIER -47.51 -42.71 23.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -64.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -44.86 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 t -46.34 -77.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HB2' ' CG ' ' A' ' 78' ' ' GLU . 13.8 pt-20 -50.85 -40.05 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -54.83 29.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 pt -66.72 -20.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -3.71 87.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.6 mt 68.59 70.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.44 ' CG ' ' HB2' ' A' ' 73' ' ' GLU . 2.8 pt-20 -170.07 144.23 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.13 159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.64 -18.61 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -42.01 79.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 107.968 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -45.07 154.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -111.96 169.61 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.4 HD11 ' CB ' ' A' ' 69' ' ' SER . 3.2 mp -132.01 123.39 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.78 161.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.91 151.44 19.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.821 ' HA ' ' HZ3' ' A' ' 9' ' ' LYS . . . -41.32 143.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -93.59 -43.29 8.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 116' ' ' PRO . 2.0 ptp180 -168.74 158.34 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 53.9 t -115.99 158.29 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.81 52.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 92' ' ' PHE . 37.9 p90 -61.38 108.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -77.67 166.87 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.2 m -133.37 -176.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 98' ' ' THR . 13.8 t0 -119.93 84.39 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.197 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 122' ' ' THR . . . 43.46 -150.83 0.51 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.464 HG23 ' CD1' ' A' ' 130' ' ' ILE . 60.5 p -75.05 59.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 110.372 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 96.4 m -111.56 104.43 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.2 t -97.23 141.18 30.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -161.2 172.47 16.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -13.89 56.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.4 m -92.46 -0.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.5 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -74.6 -52.93 3.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -75.0 -33.9 4.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . -39.96 -32.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 104' ' ' PRO . 20.3 mm-40 -117.03 53.06 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -152.36 -46.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -42.86 -56.93 5.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.1 Cg_endo -75.03 57.09 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -160.55 -46.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 1.3 t80 -48.69 -39.07 23.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -97.09 99.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 112' ' ' ILE . . . 163.19 155.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.83 50.77 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -126.27 118.52 23.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.421 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 114.17 3.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.07 153.17 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -77.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.564 ' CD2' ' CE2' ' A' ' 92' ' ' PHE . 2.2 tm? 67.11 94.91 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 165.99 30.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.96 148.5 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.472 ' CG2' ' HA2' ' A' ' 96' ' ' GLY . 8.7 t -101.63 161.64 13.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.405 ' N ' ' HG1' ' A' ' 122' ' ' THR . 7.7 p -168.62 72.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 125' ' ' ARG . 12.9 p -174.39 166.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 124' ' ' VAL . 1.9 tmt_? 82.48 -51.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.2 OUTLIER -122.0 -47.29 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 126' ' ' ASN . 10.4 mttp 68.06 -67.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -50.73 -58.19 6.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -42.28 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.464 ' CD1' HG23 ' A' ' 97' ' ' THR . 25.8 mm -45.9 -56.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.8 m -42.05 -47.2 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.04 -58.55 11.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -46.69 86.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -41.47 -60.92 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.6 mt -51.86 120.92 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 52.34 63.04 5.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.1 mmt -40.11 -43.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -175.08 -77.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -163.85 -167.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 70.2 153.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -96.7 81.0 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -51.73 137.97 30.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -58.77 -57.32 13.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 0.73 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -143.46 151.2 40.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.5 mt -110.81 89.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.3 mm -120.93 163.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -108.88 165.5 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 159' ' ' LEU . 2.0 mt -135.53 172.09 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.95 43.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 62.27 -99.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 152' ' ' THR . 0.1 OUTLIER -114.43 99.15 7.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 151' ' ' ARG . 1.8 p -159.81 -45.45 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 105.23 20.62 9.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.44 -68.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.25 -28.88 8.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 13.0 t -49.9 -25.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 5.4 m -77.96 -39.99 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.414 ' CD1' HD23 ' A' ' 148' ' ' LEU . 0.2 OUTLIER -42.87 -48.93 5.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.26 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -46.34 -60.96 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -58.31 -48.89 79.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -43.15 18.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 166' ' ' SER . 0.6 OUTLIER -72.79 -47.11 49.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 60.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 167' ' ' MET . 5.2 p -160.17 -41.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 166' ' ' SER . 0.0 OUTLIER -30.78 129.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -91.02 148.59 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 29.5 mm -46.54 150.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 27.3 t60 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.11 145.96 46.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.76 168.7 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 107.46 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttp -132.41 146.54 52.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.812 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.631 ' HZ3' HD13 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -114.53 122.46 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 12' ' ' ILE . 7.7 p -95.33 158.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.7 t -126.88 135.52 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' CD1' HG11 ' A' ' 10' ' ' VAL . 4.7 mp -137.46 97.65 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.21 162.66 31.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.53 99.28 0.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.474 1.108 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 61.49 157.34 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 0.789 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -99.43 104.57 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.09 -46.83 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.2 44.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -26.3 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.74 -55.48 5.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.113 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.8 m -61.94 -45.98 91.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.937 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' CD1' HD22 ' A' ' 148' ' ' LEU . 0.2 OUTLIER -49.82 -61.28 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' LEU . 17.3 tp -39.4 -43.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ALA . 27.4 m-20 -67.41 -49.7 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -39.45 -57.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.07 70.24 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.206 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 135.78 19.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.41 52.3 4.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.34 130.72 41.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.15 -58.8 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.75 99.87 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.58 163.49 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -151.65 144.72 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -108.05 163.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -150.24 146.19 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -76.87 -51.9 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 tp 40.3 81.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.53 -43.09 50.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 95.6 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 m -42.18 122.54 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 0.711 . . . . 0.0 110.421 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.32 142.59 43.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 3.7 mmt85 -69.26 -43.54 73.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.5 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -69.5 -10.4 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 45' ' ' VAL . 1.6 p 32.99 45.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.539 ' CG ' ' O ' ' A' ' 46' ' ' LEU . 1.3 tp -124.89 36.92 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.7 37.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.5 37.74 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.2 m80 47.44 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.631 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.442 ' CD1' HG21 ' A' ' 60' ' ' ILE . 3.9 tp -167.82 150.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -153.66 151.51 29.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.608 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 tt -157.33 108.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.78 -40.73 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.17 -90.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.82 129.46 25.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.38 4.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.566 1.824 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.95 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -118.56 148.21 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 2.9 tt -116.89 109.36 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -97.69 169.01 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -148.18 95.15 2.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -84.06 63.48 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.23 -171.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -171.91 -54.19 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -99.04 158.66 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.224 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -43.2 -52.66 5.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -53.03 -52.19 59.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.6 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 t -52.13 -40.04 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.031 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.84 25.38 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' HG2' ' CB ' ' A' ' 43' ' ' ARG . 45.3 tp10 -105.84 -54.35 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.417 HG21 ' CB ' ' A' ' 61' ' ' ASP . 4.0 m -56.35 -44.09 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.52 -36.52 23.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -57.53 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.6 mt -49.54 -44.33 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -148.33 0.29 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.2 45.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 0.728 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.78 178.44 5.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -82.1 134.99 35.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.34 62.75 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.412 ' CG ' ' N ' ' A' ' 82' ' ' GLN . 2.7 t-105 -114.14 -71.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.985 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 81' ' ' TRP . 0.0 OUTLIER -177.36 127.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.65 65.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.631 HD13 ' HZ3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -172.14 126.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' N ' HD12 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -74.26 -96.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -177.34 168.68 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.58 152.8 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.6 -52.87 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 118' ' ' LYS . 2.5 mmm180 -121.78 134.61 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.41 104.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 159' ' ' LEU . 4.2 mt -78.85 108.19 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.435 ' CE1' HG21 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -82.15 161.55 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.36 117.37 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -134.39 128.47 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.54 170.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.438 ' HA2' ' CB ' ' A' ' 122' ' ' THR . . . -42.02 -94.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 t -121.89 50.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 m -113.07 115.93 29.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -120.23 73.73 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 -171.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.89 179.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' ASP . 14.0 t 71.52 -58.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.5 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -39.14 -52.31 4.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -74.98 -38.65 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 59.57 3.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.9 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.435 HG21 ' CE1' ' A' ' 92' ' ' PHE . 1.1 pt -84.69 -22.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -50.81 -59.76 6.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.06 55.31 3.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.71 -48.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -43.53 -38.88 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.487 ' C ' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -93.52 90.25 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.441 ' CB ' HD12 ' A' ' 115' ' ' LEU . . . -167.33 162.21 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.417 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -107.92 52.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.441 HD12 ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -156.28 147.04 16.26 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.407 ' HB2' ' CG ' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.04 149.06 36.0 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -130.67 98.37 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.578 ' HZ3' HG13 ' A' ' 146' ' ' ILE . 0.0 OUTLIER -58.15 109.68 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.216 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.73 113.28 60.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 156.61 43.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.6 pt -134.0 173.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.438 ' CB ' ' HA2' ' A' ' 96' ' ' GLY . 96.4 m -139.66 112.38 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.6 m -106.7 39.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.02 172.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -71.1 91.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.38 -60.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.446 ' CA ' HG12 ' A' ' 130' ' ' ILE . 2.0 mttm 77.02 -57.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.64 -57.28 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.53 -63.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.446 HG12 ' CA ' ' A' ' 127' ' ' LYS . 29.1 pt -42.39 -30.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 m 46.97 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.435 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 47.14 23.17 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.405 1.066 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.477 ' O ' ' CG2' ' A' ' 134' ' ' THR . 0.7 OUTLIER 50.4 84.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.427 0.722 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 133' ' ' GLU . 10.2 t 46.9 42.86 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.22 92.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.21 -59.24 9.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.71 89.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -151.52 32.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -63.52 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 142' ' ' GLY . 11.6 p -66.92 139.74 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.597 1.186 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -67.32 73.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -40.81 156.34 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.507 ' O ' ' CB ' ' A' ' 144' ' ' ALA . 8.3 t-80 -93.49 61.6 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 143' ' ' HIS . . . 84.45 166.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.0 mt -134.81 120.54 19.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.578 HG13 ' HZ3' ' A' ' 118' ' ' LYS . 1.5 pp -131.54 135.52 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.413 ' H ' ' NE ' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -70.51 162.44 28.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 23' ' ' LEU . 12.9 tp -161.96 155.05 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.411 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 87.5 p -152.25 123.26 7.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.929 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -40.32 -66.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -69.03 134.95 50.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.058 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 70.2 p 43.39 61.97 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 156' ' ' VAL . . . -44.54 113.28 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -54.31 12.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -109.29 54.15 0.56 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.432 1.083 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.472 ' CG2' ' HA3' ' A' ' 153' ' ' GLY . 2.3 t -92.66 -44.76 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -52.45 40.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 81.6 t -48.67 -30.27 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.224 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -69.32 -55.59 10.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 159' ' ' LEU . 0.1 OUTLIER -38.15 -46.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.613 1.196 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -83.39 76.99 9.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.63 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.21 -16.69 59.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -87.51 -55.01 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.0 -39.99 9.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 86.4 p -95.07 59.18 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -114.49 172.22 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -100.16 120.25 6.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.429 1.08 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.74 103.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.555 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 mmt-85 -111.75 -56.23 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 70.94 124.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 87.25 0.14 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -146.94 -173.62 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.627 ' HZ3' ' HG1' ' A' ' 62' ' ' THR . 0.0 OUTLIER -169.06 -169.43 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.41 HG11 ' CD1' ' A' ' 163' ' ' LEU . 24.4 m -123.76 -166.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -150.4 81.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.92 133.83 28.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.78 138.77 20.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.65 177.75 38.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -37.94 130.05 0.95 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.98 81.73 2.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.0 m-20 160.97 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.38 84.68 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' SER . . . 62.04 -100.37 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.71 -78.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -68.42 -53.63 22.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -53.42 -43.09 67.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.429 ' HA ' ' CB ' ' A' ' 150' ' ' ALA . 5.8 tp -59.16 -67.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tp -40.85 -55.3 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -40.71 -64.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.13 -55.33 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -69.26 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 -51.86 6.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.28 -115.48 5.23 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 59.46 155.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.03 -55.46 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.59 116.29 21.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.38 139.78 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 tt -124.15 157.76 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.95 139.14 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -132.09 161.94 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' ILE . 5.1 t0 -117.72 -57.3 2.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' ASP . 5.2 pt 37.55 86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.62 73.77 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.9 25.19 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m 38.55 78.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 45' ' ' VAL . 15.3 t -46.03 125.69 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.465 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -55.59 -42.05 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -66.79 -10.32 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 42' ' ' THR . 8.5 p 43.72 29.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 61' ' ' ASP . 14.4 tp -110.97 75.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.6 ttp85 -105.64 -7.44 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -91.32 25.35 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 47.08 -172.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 tp -166.12 105.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.621 ' HE1' HH21 ' A' ' 160' ' ' ARG . 0.1 OUTLIER -93.75 150.68 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.597 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.0 120.41 49.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -85.28 -53.22 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.062 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.13 133.01 24.35 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.501 0.766 . . . . 0.0 111.036 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.2 45.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 162.78 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.52 -89.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.2 mt 71.55 124.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 10.0 m-20 -122.51 155.91 35.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.627 ' HG1' ' HZ3' ' A' ' 9' ' ' LYS . 17.0 m -65.01 -43.07 93.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' O ' ' CG1' ' A' ' 45' ' ' VAL . . . 68.59 -71.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' THR . . . 72.72 -99.46 0.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 175.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -49.01 12.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 110.339 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.52 -44.74 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.83 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -47.38 -58.95 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.33 -38.54 3.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.01 -41.12 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.9 t -49.41 -50.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.52 -45.7 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -51.74 -56.11 15.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.6 mt -60.12 -32.85 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.41 -7.78 87.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.2 mt 49.12 74.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.355 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -162.69 167.2 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -41.18 111.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.42 55.87 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.52 -70.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.06 123.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.88 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.2 tp -161.58 135.66 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.29 141.64 49.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -158.27 -173.54 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 65.5 96.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -139.47 -47.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.645 ' NH1' ' CE1' ' A' ' 143' ' ' HIS . 12.3 tpp180 -133.39 104.86 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.434 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 21.3 t -92.44 106.32 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' HB2' ' CD ' ' A' ' 118' ' ' LYS . 1.4 pp -106.38 107.41 18.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD1' HG21 ' A' ' 107' ' ' ILE . 78.9 m-85 -77.77 -172.04 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -150.27 137.11 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.87 108.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.99 109.43 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 52.17 -175.94 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.3 p -71.48 58.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.2 m -92.75 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 t -106.57 130.3 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -151.97 -168.53 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.8 11.81 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.07 -23.07 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.579 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.98 -48.29 2.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.93 -9.13 20.72 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.562 1.822 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.84 53.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.404 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 7.8 tp10 -171.95 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.245 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.565 HG21 ' CD1' ' A' ' 92' ' ' PHE . 4.9 pt -82.49 -33.87 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.519 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.1 OUTLIER -56.78 -59.38 12.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -74.94 56.78 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.28 -49.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CD1' ' CG2' ' A' ' 140' ' ' VAL . 0.9 OUTLIER -38.29 -38.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.1 tp -81.33 77.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.58 143.31 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 71.65 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 pp -175.08 137.22 0.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.41 40.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.0 138.73 45.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.409 ' CD ' ' HB2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -102.8 159.73 15.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.412 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -130.67 130.43 22.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.6 Cg_endo -74.92 163.62 35.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.465 HD12 ' CB ' ' A' ' 145' ' ' LEU . 23.6 mt -122.35 159.36 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.402 ' N ' ' CG2' ' A' ' 121' ' ' ILE . 0.7 OUTLIER -123.67 140.37 53.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.7 p -146.53 54.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 124' ' ' VAL . 12.3 m -79.56 85.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER 66.35 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' ARG . 24.9 m-80 -40.05 155.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -133.01 -58.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.43 -25.2 66.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.225 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -67.49 -66.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.535 ' CD1' ' N ' ' A' ' 131' ' ' THR . 2.5 pp -53.85 -47.84 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.535 ' N ' ' CD1' ' A' ' 130' ' ' ILE . 1.0 OUTLIER -39.48 -41.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -41.82 -84.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -49.87 75.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.262 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 136' ' ' GLY . 50.3 m -40.48 -31.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -49.34 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' SER . . . 34.52 71.91 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 136' ' ' GLY . 4.1 ttt -31.95 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.413 0.713 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -65.31 116.57 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -178.05 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.515 ' CG2' ' CD1' ' A' ' 111' ' ' PHE . 13.4 p -156.74 148.09 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.09 113.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -92.43 143.68 16.66 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.645 ' CE1' ' NH1' ' A' ' 89' ' ' ARG . 9.4 t-160 -61.95 -42.12 98.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.55 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 175.0 137.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.465 ' CB ' HD12 ' A' ' 121' ' ' ILE . 2.7 mt -91.97 115.58 28.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 121' ' ' ILE . 4.5 mm -125.79 144.26 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.17 155.65 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 149' ' ' SER . 3.6 pp -175.06 -170.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 151' ' ' ARG . 18.9 p -176.44 88.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 23' ' ' LEU . . . -40.31 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -168.77 -50.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.3 m -167.58 109.55 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 70.54 -104.42 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 60.67 -174.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -77.15 54.67 3.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 50.4 t -99.27 -41.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.224 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.02 -45.77 87.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 80.5 t -58.79 -31.42 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -46.73 61.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.621 HH21 ' HE1' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -43.42 -49.38 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.23 -49.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -61.65 -34.02 74.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.41 ' CD1' HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -66.17 -28.39 68.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -71.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -37.84 -36.79 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.0 t -68.1 -57.76 5.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.03 110.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -90.75 146.04 18.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.3 pt -54.51 136.71 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 0.805 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 109.586 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -128.09 153.09 47.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.54 154.94 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.74 95.34 0.1 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -179.66 131.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' CG ' HG12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -87.26 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.381 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -170.43 104.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 11.6 p -59.9 145.77 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 11' ' ' VAL . 1.3 pp -152.68 90.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.79 169.31 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.84 175.48 23.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -42.57 118.92 2.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 62.7 5.97 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -177.61 57.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.31 35.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.56 33.54 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -54.17 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.75 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -77.86 -38.21 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.99 -48.38 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.9 tp -60.9 -53.82 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -50.7 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -51.09 -48.91 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -84.97 59.74 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.58 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.8 -69.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.4 -56.89 0.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -40.74 105.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 0.743 . . . . 0.0 110.188 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -58.94 140.7 55.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.07 59.53 2.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.39 -178.25 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tt -123.86 128.86 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 m -90.84 114.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -88.05 145.43 25.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 110.425 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -145.66 84.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pt -125.45 175.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -110.83 -55.78 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.76 95.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' ALA . 16.0 p -49.34 157.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 0.719 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.3 p -106.03 130.68 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.409 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -58.24 -33.67 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.16 -15.4 57.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p 43.92 29.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -107.52 57.19 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -96.64 24.76 5.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.08 12.45 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 57.34 -178.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.8 tt -120.01 146.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 0.3 OUTLIER -118.16 96.85 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -122.7 118.03 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' N ' HD11 ' A' ' 52' ' ' ILE . 3.7 t0 -88.07 -41.91 12.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 55' ' ' MET . 2.3 mpt? -127.5 145.12 53.39 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 0.74 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.54 91.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.96 126.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.98 108.83 22.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.443 HG12 ' CG ' ' A' ' 9' ' ' LYS . 1.1 tt -101.6 -178.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.15 109.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.459 ' O ' ' CG2' ' A' ' 62' ' ' THR . 12.0 t -83.04 72.54 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -52.63 -87.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.3 -48.87 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.7 140.29 38.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -41.01 -57.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.43 1.081 . . . . 0.0 110.367 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.66 -49.86 56.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.98 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -44.83 -41.22 6.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -72.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.34 -30.32 3.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.428 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 0.9 OUTLIER -57.81 -50.86 76.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -69.36 -18.22 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 pt -75.65 -14.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -105.97 14.47 44.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.446 ' CG2' ' O ' ' A' ' 77' ' ' ILE . 14.9 mt 44.68 48.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.76 177.81 5.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 21.1 mtm105 -98.71 152.22 19.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -72.67 102.5 3.33 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -149.16 -45.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER 81.16 94.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 85' ' ' GLU . 2.5 tp -87.71 -39.59 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 9.1 tt0 84.93 149.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 178.31 7.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.92 176.16 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -151.25 32.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.02 143.56 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.1 t -135.41 127.38 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -114.22 87.49 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 110' ' ' GLU . 1.0 OUTLIER -73.56 147.85 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.4 tpt -125.41 132.01 52.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.7 t -148.32 131.74 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -48.59 -52.65 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.394 1.059 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.59 -82.87 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -94.63 32.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.455 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -115.67 91.57 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.3 p -101.36 79.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.31 174.34 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.11 -0.12 56.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.395 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.7 t -103.98 -17.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.56 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -62.86 -48.89 84.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.97 -19.25 18.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.55 -17.08 63.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.8 35.02 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.74 -41.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.587 ' C ' ' CD1' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -50.54 -55.97 22.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.01 56.3 4.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.401 1.737 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 tp10 -149.56 -62.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.66 -19.65 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.481 ' CG2' ' O ' ' A' ' 112' ' ' ILE . 3.7 mt -87.66 74.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.414 ' CB ' ' CD2' ' A' ' 115' ' ' LEU . . . -176.43 -179.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -99.06 -37.32 9.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.414 ' CD2' ' CB ' ' A' ' 113' ' ' ALA . 1.7 pt? -58.41 144.65 77.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 177.72 8.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -143.35 133.3 24.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -100.54 -176.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.75 137.03 1.17 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.69 3.01 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 75.2 mt -119.61 163.85 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 122' ' ' THR . 13.2 t -116.7 59.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.4 p -69.5 65.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.216 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 122' ' ' THR . 3.9 p -107.18 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -48.93 156.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.7 114.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -14.43 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.59 -47.1 82.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.01 79.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -40.38 -83.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.0 t -43.74 -46.72 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.51 58.64 2.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.4 -52.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 110.226 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.1 m -59.4 -33.19 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.08 -36.57 13.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.28 -71.44 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.83 91.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.5 p -132.44 41.44 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.25 -65.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.9 p -80.71 138.21 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.37 94.43 0.4 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -43.63 -34.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.626 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -167.59 -172.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.8 96.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.0 pt -108.52 151.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -101.13 140.34 35.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' A' ' 148' ' ' LEU . 0.0 OUTLIER -158.36 -178.5 7.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.2 t -152.32 30.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 152' ' ' THR . . . 43.74 -147.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 66.55 -70.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 150' ' ' ALA . 9.5 t -175.12 138.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . 0.422 ' CA ' HG23 ' A' ' 156' ' ' VAL . . . 61.49 -145.6 48.69 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 75.28 -69.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 0.795 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -157.8 45.69 0.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.422 HG23 ' CA ' ' A' ' 153' ' ' GLY . 17.1 m -106.84 9.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -107.34 -62.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.76 -38.23 43.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.07 -47.33 85.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -65.18 -27.78 68.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -71.9 -13.74 61.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -115.06 12.4 16.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.476 HD11 ' CE1' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -100.13 -46.22 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -56.36 8.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -40.97 -33.17 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 50.9 m -42.07 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.413 ' CB ' ' HG3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -144.03 160.99 39.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 169' ' ' ILE . . . -143.88 -84.74 0.07 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 12.0 pt -37.31 151.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 145.43 41.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -150.29 174.62 12.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.61 -177.99 29.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.528 ' HB3' ' CB ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -152.76 -166.47 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.073 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' CE ' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -141.71 87.97 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -88.9 156.54 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -155.67 130.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 mt -91.07 129.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.55 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . . . -114.58 172.14 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.78 171.25 14.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -70.99 150.27 94.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 110.267 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 72.74 4.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 18' ' ' ALA . 12.9 t-20 173.5 -34.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . -38.71 -66.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.359 1.037 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.84 41.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -85.6 159.75 19.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.24 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t 79.16 -55.3 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -16.33 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.42 -56.86 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -27.44 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.94 -49.82 65.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.08 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.1 65.23 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.46 160.48 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.43 -48.62 6.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -43.32 122.5 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.794 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.22 -56.6 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.18 -73.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 69.7 148.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.38 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.47 145.53 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.44 120.18 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.15 93.81 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.44 94.63 9.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.79 130.04 69.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.72 -28.05 40.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.44 91.98 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -38.83 133.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 t -89.11 149.23 23.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -41.36 19.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 46' ' ' LEU . 3.7 p30 -65.71 -11.98 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 47' ' ' ARG . 95.3 t 67.68 -63.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -38.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.6 ptt85 -129.24 7.04 5.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.09 35.47 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' O ' ' CG1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER 40.74 -159.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 49' ' ' HIS . 12.4 mt -156.7 126.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 3.8 p80 -83.24 101.26 11.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 0.0 109.594 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 tp -91.3 107.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.65 114.93 29.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 -44.05 1.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.6 ttt -154.43 112.96 2.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.69 4.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.12 55.64 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.507 ' CD2' HG13 ' A' ' 60' ' ' ILE . 59.3 t60 -143.96 151.01 39.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.3 130.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.507 HG13 ' CD2' ' A' ' 58' ' ' HIS . 7.2 mt -129.07 145.74 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.78 151.2 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.411 ' HB ' ' N ' ' A' ' 46' ' ' LEU . 44.5 m -102.85 -50.98 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 45.63 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.7 -41.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.7 -176.69 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -56.07 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.03 -56.86 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.55 -53.72 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.09 -39.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.87 -45.54 20.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -55.31 -52.08 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 44' ' ' ASP . 25.7 m -59.5 -33.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -12.15 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.18 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -49.19 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 pp -59.03 -33.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.22 106.02 3.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.155 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mm -44.63 99.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -170.19 -179.75 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.42 154.31 38.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.15 -66.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -75.28 68.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -112.32 158.79 19.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.4 142.95 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 84' ' ' ILE . 2.9 tp -149.54 116.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.439 ' HB2' ' CE ' ' A' ' 9' ' ' LYS . 8.9 mm-40 -55.6 179.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.9 -179.72 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.56 136.28 38.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 166' ' ' SER . 64.9 t0 -117.43 -64.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -105.64 103.91 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.82 100.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.74 134.82 34.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -106.43 159.02 16.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 tpt -137.81 133.91 34.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.9 t -137.98 127.13 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.4 t70 -70.78 116.65 11.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.44 ' HA2' ' CG2' ' A' ' 122' ' ' THR . . . 37.62 -156.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 97' ' ' THR . 1.3 m -97.63 64.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.622 0.837 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.3 m -132.76 123.11 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 t -104.3 141.5 36.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -168.33 171.66 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' C ' ' CG2' ' A' ' 102' ' ' VAL . . . -48.78 166.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' ' C ' ' A' ' 101' ' ' ALA . 2.4 t 82.03 -54.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -46.66 -50.32 42.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.0 -31.77 5.93 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.388 1.731 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.67 59.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.387 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -114.6 59.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.553 HD11 ' CZ ' ' A' ' 92' ' ' PHE . 8.5 mm -143.24 -49.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.464 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.45 -56.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 108.064 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -75.03 55.02 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.49 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -159.67 -58.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -40.94 -49.56 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 30.6 pt -60.81 -178.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 70.67 163.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -91.05 3.21 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.61 126.82 79.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 165.81 30.4 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.8 104.26 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 167.24 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.46 117.34 9.5 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 143.05 28.39 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 147' ' ' ARG . 45.9 mt -114.31 147.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 130' ' ' ILE . 0.5 OUTLIER -107.02 134.8 49.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 13.5 m -127.66 72.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.2 133.53 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.2 115.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.65 141.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -116.32 -5.7 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' THR . . . -90.56 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -43.78 -30.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 122' ' ' THR . 0.4 OUTLIER -78.93 -46.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 130' ' ' ILE . 2.8 m -55.94 -58.79 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.26 58.81 1.12 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 179.59 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 9.5 t -66.69 -50.97 61.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.7 mt -47.27 -56.52 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -94.65 50.02 2.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -39.06 -52.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 111.017 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.16 -68.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -179.21 -61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.45 123.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.99 65.95 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -37.74 141.02 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -42.01 -58.45 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -142.82 -179.8 6.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.5 mp -146.02 100.57 3.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.7 mm -109.05 134.92 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -80.89 133.82 35.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.1 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 149' ' ' SER . 9.9 t -158.01 32.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 151' ' ' ARG . . . 59.54 -141.66 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 150' ' ' ALA . 7.9 mtt180 -38.0 -60.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 18.8 m -72.67 57.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.49 111.89 1.03 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.79 25.02 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 169.76 48.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.83 -30.84 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.14 -50.6 46.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.23 -29.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 4.4 tt -77.25 -45.31 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.32 -18.05 65.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.93 -17.69 59.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -105.2 14.77 28.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.79 -36.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.78 39.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -62.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' SER . . . . . 0.495 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 2.0 m -56.68 -19.94 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.042 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.528 ' CB ' ' HB3' ' A' ' 8' ' ' MET . 15.5 ptt? -48.99 138.04 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 152.15 50.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mt -92.65 97.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 50.5 t60 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.624 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -153.26 169.98 21.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -176.81 133.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.65 178.96 16.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -169.49 162.6 10.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 137.6 50.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -121.11 148.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.9 p -129.4 130.21 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -115.67 106.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.23 -172.99 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.08 148.8 8.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.41 150.8 2.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' C ' ' HZ3' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.07 59.14 5.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 176.25 100.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 175.2 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.39 42.71 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HZ3' ' C ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -73.26 -29.12 62.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.423 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . 2.1 p -82.38 -43.23 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -61.57 -31.46 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' LEU . 6.4 tt -67.51 -63.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.0 tm? -40.24 -65.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.181 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 79.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -177.96 -51.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.16 -59.82 4.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 -52.04 14.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 38.16 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -90.56 50.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.383 0.696 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 39.75 41.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.69 -56.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.85 131.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -157.6 119.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 21' ' ' SER . 8.1 p -110.18 135.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -99.37 148.87 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.74 78.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.92 136.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -84.2 -44.95 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.585 1.178 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.25 96.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 41' ' ' THR . 2.9 t -57.81 116.08 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 45' ' ' VAL . 6.0 t -68.06 132.8 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -37.93 89.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -70.74 -8.23 50.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' N ' HG23 ' A' ' 42' ' ' THR . 7.1 p 40.29 36.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 61' ' ' ASP . 11.7 tp -126.81 79.48 1.87 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.34 9.92 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.23 44.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 47.2 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 mp -143.5 97.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -47.0 147.47 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 pp -140.21 64.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.0 62.22 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.372 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.72 -69.34 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.5 ttt -130.31 121.19 19.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -175.59 2.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp 51.15 55.55 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -144.35 147.3 33.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.75 154.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -112.94 -49.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 1.8 m-20 62.48 103.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.29 161.13 27.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -151.36 22.96 0.96 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 tp -170.41 156.12 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 0.782 . . . . 0.0 109.345 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -42.4 55.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -50.69 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.51 -61.05 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -51.19 -39.01 55.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.03 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.6 -37.37 87.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 61' ' ' ASP . 2.9 t -56.75 -51.02 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.215 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -38.23 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -64.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -52.65 97.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.05 -143.71 14.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.93 -22.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.98 164.14 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.51 -69.6 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 178.52 161.95 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 49.17 77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -178.34 140.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 41.18 -157.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mt 65.74 124.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -123.45 -174.39 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -84.0 156.41 22.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.15 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -150.73 -48.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.456 HH22 ' ND1' ' A' ' 143' ' ' HIS . 1.2 tpt180 -107.64 153.08 23.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.411 ' CG1' ' HA ' ' A' ' 117' ' ' ALA . 9.9 p -158.7 123.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.645 ' HB2' ' HZ3' ' A' ' 118' ' ' LYS . 10.2 tt -132.13 110.56 10.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 7.6 p90 -110.21 77.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.37 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.1 m -129.51 -168.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 -171.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.58 -74.37 0.51 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.4 p -118.13 -41.0 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -38.8 132.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 m -156.46 82.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.19 -174.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.25 0.04 53.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.83 -10.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -71.97 -49.86 9.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.93 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.7 0.09 57.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -115.39 -1.93 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.578 ' CG2' ' CE2' ' A' ' 92' ' ' PHE . 3.6 pt -117.08 -39.37 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.217 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.465 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -40.56 -55.95 4.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 53.31 3.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.39 1.732 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 107' ' ' ILE . 7.0 tp10 -134.22 -45.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.39 41.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.5 mt -119.55 -46.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 115' ' ' LEU . . . -76.84 -168.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 81.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.418 ' CD1' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -167.7 157.3 9.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.498 ' HB3' ' CD2' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.0 148.5 35.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.411 ' HA ' ' CG1' ' A' ' 90' ' ' VAL . . . -125.52 132.25 52.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.645 ' HZ3' ' HB2' ' A' ' 91' ' ' LEU . 4.2 mtmp? -97.36 135.97 38.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 20.2 tp -144.2 102.59 4.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 pt -130.73 -173.26 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.2 t -99.05 144.22 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.541 ' O ' ' C ' ' A' ' 124' ' ' VAL . 8.3 p -76.51 66.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.547 ' CG2' ' N ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER 29.1 -97.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.547 ' N ' ' CG2' ' A' ' 124' ' ' VAL . 20.6 ttt180 74.62 -61.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -152.62 -165.98 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt 68.7 49.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 42.95 31.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.81 116.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 131' ' ' THR . 21.2 mm -64.81 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 130' ' ' ILE . 6.3 t -37.65 -38.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.421 1.075 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.28 -45.99 85.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.32 -45.09 44.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.56 -41.07 96.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.7 -46.39 89.98 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.4 ttp -69.15 73.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.1 t -130.65 62.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -40.77 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.03 137.88 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -49.83 101.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -48.57 142.69 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.498 ' CD2' ' HB3' ' A' ' 116' ' ' PRO . 52.5 t-80 -112.63 -15.55 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.617 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.21 -73.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.4 mt 62.88 72.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.71 127.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.87 147.02 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.416 HD22 ' CD1' ' A' ' 159' ' ' LEU . 1.9 pp -176.18 163.27 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 150' ' ' ALA . 52.4 p -141.64 130.24 22.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 152' ' ' THR . . . -45.41 -94.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.4 -89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 152' ' ' THR . 1.0 OUTLIER -175.33 71.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 147.99 -156.18 26.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 69.46 -149.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.571 0.807 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . -41.78 -84.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.435 ' CG2' ' C ' ' A' ' 155' ' ' GLY . 0.0 OUTLIER 40.02 -97.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 155' ' ' GLY . 32.4 t70 -45.45 -50.53 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 36.6 t -41.78 -47.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.416 ' CD1' HD22 ' A' ' 148' ' ' LEU . 28.3 mt -73.11 -44.41 60.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -34.93 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.1 -50.56 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -52.72 -31.89 40.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.641 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -49.99 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -54.88 -60.01 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -43.0 -37.29 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 54.3 p -99.87 75.14 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.33 -67.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.084 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 89.26 137.71 6.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.5 mt -65.02 113.03 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 75.1 t60 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.612 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -104.69 139.93 38.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.64 166.94 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.59 107.94 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.464 ' HG2' ' CB ' ' A' ' 167' ' ' MET . 0.0 OUTLIER -159.32 170.75 21.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HZ3' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -131.89 165.19 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -144.37 157.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.22 100.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.0 mt -92.74 84.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.3 167.66 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.57 129.82 2.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.22 156.21 0.49 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.67 19.91 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 68.09 50.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.83 27.86 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.53 72.69 0.49 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -107.76 -58.02 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -54.33 -49.1 70.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.6 m -47.85 -39.22 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.77 -58.9 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -39.34 59.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -63.05 -46.74 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.0 -57.56 4.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.083 . . . . 0.0 109.383 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 55.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.37 -52.78 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.15 -63.35 0.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 9.4 ptp180 -65.96 147.5 53.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.85 -62.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.32 129.57 40.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mm -103.07 118.39 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.606 1.192 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.07 140.35 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.9 p -125.57 140.35 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.54 88.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 tp -140.71 149.48 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.16 -54.96 3.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.64 101.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.2 p -54.67 142.65 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.6 p -63.88 156.67 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -81.69 -19.94 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -108.18 3.06 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 44' ' ' ASP . 9.9 p 46.88 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -119.34 96.55 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 9.08 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -103.27 37.93 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER 40.45 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.557 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 mm -149.94 113.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.524 ' CE1' HH21 ' A' ' 160' ' ' ARG . 5.8 t-80 -95.5 116.48 28.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mm -130.63 126.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -86.6 -41.28 14.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.375 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.0 -74.03 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.26 170.66 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 0.796 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.19 143.26 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -164.29 -56.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp 64.22 116.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mm -138.25 157.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -134.68 131.78 38.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 t -96.57 73.46 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.74 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.02 -64.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.89 166.1 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -44.51 -47.86 10.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.15 -65.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.0 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -39.91 -38.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.942 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -76.79 -70.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -40.15 -47.34 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 t -44.61 -60.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.392 1.057 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -49.8 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -56.46 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 mm -45.35 -48.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.19 42.22 2.01 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.549 1.156 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.7 mp 59.92 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.64 160.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.26 -82.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.65 -49.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -108.3 85.2 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.63 126.41 51.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -48.48 139.25 9.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.5 tp -148.77 111.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 3.3 mm-40 -48.98 174.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -123.01 136.66 54.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 115' ' ' LEU . . . -45.69 105.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 3.0 m-20 -108.02 63.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER 162.91 130.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.9 t -124.79 118.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.1 98.49 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -115.17 142.18 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.78 137.99 31.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' GLY . 32.0 m -119.73 6.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 60.72 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -171.8 -132.68 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.1 t -46.63 -30.94 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.0 p -39.76 125.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -133.03 164.75 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -174.85 174.04 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.6 -1.47 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.38 -15.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -61.89 -49.76 84.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -74.95 -43.71 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.56 65.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 174.42 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.4 pt -92.13 -29.76 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.458 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -56.83 -56.09 36.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.95 56.32 4.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.73 -46.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -40.93 -33.43 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.7 mp -82.17 79.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -177.27 128.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 56.98 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 87' ' ' ALA . 1.1 pp -145.74 154.75 52.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 151.86 39.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -133.23 86.61 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -63.99 126.8 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.41 120.6 47.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 154.55 42.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mm -118.97 163.89 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.435 ' CG2' HG22 ' A' ' 130' ' ' ILE . 0.9 OUTLIER -94.57 147.54 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' VAL . 3.5 t -79.95 54.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 123' ' ' VAL . 76.4 t 37.41 -100.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 123' ' ' VAL . 0.0 OUTLIER 76.67 -67.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.083 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.99 -171.16 3.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.92 46.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 41.02 44.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 131' ' ' THR . 1.7 m-20 63.84 104.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.549 ' O ' ' C ' ' A' ' 131' ' ' THR . 4.2 tp -46.25 -23.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . 0.549 ' C ' ' O ' ' A' ' 130' ' ' ILE . 4.4 m -25.77 -67.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.467 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -39.7 -83.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.34 -49.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -59.03 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -57.78 5.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -41.2 -53.93 3.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.73 99.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.715 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.83 51.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.065 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.6 7.47 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.5 p -154.76 147.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.14 89.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.18 134.29 33.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -67.16 -44.65 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -161.78 150.97 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.0 mt -114.57 120.72 41.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.84 139.53 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -105.04 134.52 48.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.3 pp -152.44 176.22 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.5 t -125.0 -178.18 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -89.93 -61.94 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 151' ' ' ARG . 1.3 ttp-105 -63.21 -69.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 154' ' ' GLU . 76.7 p -92.22 78.18 5.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -53.61 88.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' THR . 7.4 mt-10 -54.91 -45.04 74.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 0.75 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -132.98 60.24 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.54 -2.6 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 0.793 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.88 -48.3 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.519 ' O ' ' CD2' ' A' ' 162' ' ' HIS . 66.1 t -60.86 -19.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 5.1 tp -82.43 -44.05 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.524 HH21 ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -60.17 -51.99 67.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.238 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 164' ' ' LYS . 6.1 m-80 -46.09 -65.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 158' ' ' VAL . 36.2 m-70 -40.22 -43.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.605 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.42 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -48.99 -49.84 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 161' ' ' ASN . 23.9 pttt -87.94 55.34 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -149.74 -54.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 44.7 t -92.04 20.92 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.464 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 63.86 134.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.5 pt -65.9 123.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.62 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -106.61 -45.88 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 66.17 113.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.62 160.18 26.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -175.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -118.97 -179.54 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 p -155.51 152.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.74 129.61 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt -129.88 83.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.65 159.0 20.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.7 -154.54 25.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.414 1.071 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.08 125.37 89.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 86.23 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.445 1.761 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 162.5 -37.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.84 61.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 36.84 84.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 -31.93 11.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.65 -41.74 10.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -50.33 -28.22 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.88 -40.34 47.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -42.71 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -58.66 -43.63 89.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.1 91.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -67.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.71 -66.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.27 28.78 35.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -78.44 148.81 33.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 0.753 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 1.7 mp0 -78.82 63.16 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 31' ' ' GLU . . . 169.34 65.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 124.33 19.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tp -123.92 140.09 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.67 112.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 t -88.97 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.36 88.25 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.408 HG23 ' NH2' ' A' ' 47' ' ' ARG . 2.3 tt -135.63 160.84 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.96 -39.46 6.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.77 109.85 0.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -73.41 102.16 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 45' ' ' VAL . 9.8 t -47.24 120.67 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -35.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.1 p30 -70.04 -8.74 51.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ARG . 46.1 t 69.79 -59.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 61' ' ' ASP . 5.2 tp -37.84 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' VAL . 18.1 tpt180 -124.93 8.79 8.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' HIS . 67.8 mt-10 -130.65 31.75 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLU . 24.4 p80 37.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.612 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 59' ' ' ILE . 6.6 tp -160.27 110.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -76.85 127.28 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.1 mm -115.82 83.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -41.47 -41.44 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.16 -92.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttt -121.24 141.32 32.84 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.77 4.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.33 146.19 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 69.19 139.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 50' ' ' ILE . 10.6 pt -148.83 155.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 60' ' ' ILE . 1.8 pp -112.21 -171.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' HB3' ' CB ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -156.26 143.51 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 8.2 p -83.67 124.7 31.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.457 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . . . -70.5 -81.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.408 ' HA2' ' NE2' ' A' ' 86' ' ' GLN . . . 99.77 -69.58 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.59 140.75 43.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -42.39 -51.21 4.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.03 -46.47 75.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -52.03 -47.56 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' ALA . 8.2 t -38.04 -49.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -72.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -40.89 -33.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.413 ' CG1' ' OD2' ' A' ' 61' ' ' ASP . 73.4 t -71.25 -55.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.67 81.84 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.2 -31.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 tt -76.0 -17.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.395 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.75 3.63 34.18 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.9 mt 58.17 86.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -170.0 175.1 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' GLU . 1.1 mtm180 -38.84 124.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 81' ' ' TRP . . . -88.29 46.11 1.35 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CG ' ' O ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER 161.18 70.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' TRP . 2.0 mt-30 166.53 136.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 69.27 103.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.457 ' CG1' ' HB3' ' A' ' 63' ' ' ALA . 3.3 tp -175.33 56.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.35 106.3 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 87' ' ' ALA . 2.1 pp0? -130.34 -165.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 86' ' ' GLN . . . 56.36 101.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.88 -51.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.48 ' NH1' ' ND1' ' A' ' 143' ' ' HIS . 0.6 OUTLIER -130.6 116.71 18.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 117' ' ' ALA . 54.8 t -93.24 133.4 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.412 1.07 . . . . 0.0 109.237 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.94 85.83 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -82.67 100.26 10.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -77.02 117.78 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.6 t -125.35 130.24 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 174.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.61 -101.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.3 p -107.53 50.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.373 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.6 m -98.7 108.28 20.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.5 t -91.73 159.84 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.5 148.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.54 -5.83 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.1 t -96.05 -20.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.12 -51.83 71.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.03 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.41 ' HA ' ' CD1' ' A' ' 108' ' ' TRP . . . -50.19 -31.31 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.55 -42.76 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -86.19 46.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.585 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -92.43 -62.17 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.585 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.02 -6.57 18.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.567 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 5.2 mm-40 -78.55 -49.35 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -43.75 -48.4 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.2 pp -91.82 109.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.52 177.41 4.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -122.71 44.25 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -159.5 154.79 21.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.74 43.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.435 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . . . -142.82 106.52 4.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -177.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 129.67 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' A' ' 148' ' ' LEU . 18.3 Cg_endo -74.96 177.36 8.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 147' ' ' ARG . 0.6 OUTLIER -137.01 -46.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.7 m 70.27 134.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.434 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.48 55.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.439 HG12 ' CG2' ' A' ' 130' ' ' ILE . 8.7 p -43.19 148.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -67.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.83 104.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 129' ' ' ASP . 2.3 ttmm -65.71 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.613 1.196 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.53 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -173.36 -49.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.439 ' CG2' HG12 ' A' ' 124' ' ' VAL . 18.9 pt -61.11 -28.24 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.4 m -58.92 -66.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.34 57.11 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.81 -53.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.419 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 82.8 m -62.16 -70.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 110.435 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -55.03 40.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 138' ' ' SER . . . -41.27 -67.19 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 85.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -137.65 67.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.69 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.55 142.22 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -47.53 -52.66 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 65.71 146.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.48 ' ND1' ' NH1' ' A' ' 89' ' ' ARG . 10.6 t60 -41.42 -61.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -173.28 -164.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -131.56 128.89 40.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.55 111.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -70.69 151.63 44.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -167.2 -167.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.462 ' CB ' ' HB ' ' A' ' 152' ' ' THR . 0.0 OUTLIER -132.77 -165.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -108.13 -52.14 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 151' ' ' ARG . 1.7 ptm85 -106.01 -34.31 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.229 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 149' ' ' SER . 3.3 m -64.87 -13.28 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 74.14 -93.02 0.76 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.9 -67.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . -93.87 -93.99 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 157' ' ' ASP . 76.4 t 55.25 -90.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 0.711 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 155' ' ' GLY . 14.2 t70 -48.1 -42.83 30.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 37.8 t -47.81 -80.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.1 pp -46.37 -38.68 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -42.65 -57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.93 -45.64 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -67.4 -28.0 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -70.73 -21.98 62.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.212 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -91.99 -56.64 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -41.36 -35.47 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 32.0 m -59.13 -46.91 87.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 164' ' ' LYS . 28.2 mtt -48.98 117.68 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -99.42 160.9 19.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.1 pt -48.07 107.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 0.714 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.561 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -142.9 70.67 1.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.435 0.726 . . . . 0.0 110.026 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.2 mp 42.22 64.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.74 86.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.224 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -121.14 178.27 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -172.18 177.65 3.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.62 174.67 18.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mtt -171.68 -176.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.55 123.93 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 m -121.23 137.66 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 p -117.25 143.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.5 mt -123.22 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.45 -177.51 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.54 55.91 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.165 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 16.0 mtm105 63.87 150.56 0.11 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -74.99 112.68 3.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 5.8 t30 78.56 85.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.78 35.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.21 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.47 54.39 3.76 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 0.709 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 m -63.73 -56.74 13.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -34.71 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -63.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -40.93 -47.91 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -45.21 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.12 -26.65 4.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.7 tp -66.54 -67.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.77 117.76 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.02 -26.78 3.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.859 HH21 ' CE1' ' A' ' 49' ' ' HIS . 11.7 mtm-85 -50.11 150.44 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.797 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.8 mp0 -92.65 -63.46 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.4 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' GLU . . . -83.0 106.98 15.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.77 138.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.33 140.78 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -122.9 -174.36 2.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -101.91 139.24 37.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.469 HG12 ' N ' ' A' ' 39' ' ' ALA . 0.2 OUTLIER -36.49 -42.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' N ' HG12 ' A' ' 38' ' ' ILE . . . 39.26 30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 96.13 115.08 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 p -52.88 122.94 10.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.415 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -59.46 148.84 31.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.25 84.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -4.14 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p 42.22 40.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tp -121.43 73.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.49 15.82 22.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.163 . . . . 0.0 110.26 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.58 36.02 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.24 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.859 ' CE1' HH21 ' A' ' 30' ' ' ARG . 1.4 m170 51.38 -175.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 58' ' ' HIS . 1.4 pt -122.7 96.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -68.24 120.21 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.631 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 tp -152.88 102.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.39 -35.5 27.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -47.76 -95.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.7 151.36 37.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.97 84.07 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 5.0 t-80 -154.43 115.84 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.66 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 pp -99.82 128.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.7 mt -123.95 160.8 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.09 119.4 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.4 m -106.23 104.32 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.448 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -88.28 -96.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.67 18.28 14.69 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.16 162.31 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 0.795 . . . . 0.0 109.319 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -25.11 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.41 -57.67 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.237 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 m -54.3 -37.08 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.14 -43.92 85.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -26.74 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 63' ' ' ALA . 2.5 t -65.65 -46.09 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.65 52.7 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -165.43 -43.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -39.9 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . -90.4 39.55 3.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.557 1.16 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' GLY . 3.7 mt 40.36 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -161.58 135.21 6.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -51.64 150.56 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.68 64.32 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -106.91 -162.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.986 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.31 129.58 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 170.52 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -173.88 128.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.72 -169.96 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -112.28 166.82 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.81 158.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -133.74 -55.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.476 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 40.1 mmt-85 -108.25 94.06 4.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 90' ' ' VAL . 7.8 p -100.34 80.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.478 ' CD2' ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -77.21 142.09 39.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CE1' HG12 ' A' ' 107' ' ' ILE . 70.8 m-85 -105.99 156.88 17.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 mmt -129.22 117.72 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.1 m -120.16 153.99 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.06 109.14 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.59 -150.03 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 t -87.98 50.25 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.9 m -101.55 130.82 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.375 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 m -120.1 102.81 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -99.91 174.81 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -16.23 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 t -93.02 -9.35 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.515 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -60.63 -51.78 77.3 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.0 Cg_endo -75.03 -38.17 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 62.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.7 OUTLIER 169.8 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.527 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -96.26 -16.51 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -66.48 -56.49 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 107.981 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.02 55.58 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -150.16 -51.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.548 ' CD1' HG22 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -42.48 -38.37 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.514 ' CG2' ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -84.84 79.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.05 -179.93 8.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.077 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -115.18 54.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.06 156.16 14.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.74 42.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 118' ' ' LYS . . . -101.11 -70.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 117' ' ' ALA . 0.4 OUTLIER 82.88 88.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 mt -90.02 150.47 43.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 147' ' ' ARG . 5.2 mt -136.29 151.09 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.5 142.58 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.14 42.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.8 175.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -52.95 177.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.36 107.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.8 76.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.383 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.2 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 17.9 mm -67.43 -64.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.2 p -42.73 -40.37 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.09 -54.98 12.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -102.32 48.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -115.31 -39.59 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -69.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -39.07 -54.27 2.5 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.13 57.01 3.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 0.842 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.3 t 70.76 -69.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 140' ' ' VAL . 0.3 OUTLIER 174.42 -176.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.548 HG22 ' CD1' ' A' ' 111' ' ' PHE . 0.4 OUTLIER 73.14 152.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -98.17 88.18 4.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.99 132.05 50.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -42.5 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -153.46 142.83 21.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 8.9 mt -106.36 115.39 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 146' ' ' ILE . 4.3 mp -129.02 129.67 68.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.469 ' HB3' ' CG2' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -83.52 152.12 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.59 174.76 4.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.5 p -139.98 171.19 14.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.068 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.96 -75.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -85.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 87.8 m -66.12 137.74 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -79.66 61.86 4.2 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.21 -70.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -131.62 71.1 0.51 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 41.8 t -102.0 -46.63 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.98 -35.33 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.42 -23.63 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -47.24 16.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -60.29 -25.8 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -91.58 21.05 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.01 -44.14 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -66.24 -33.72 76.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -39.88 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.476 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 23.1 m -58.41 -72.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -50.2 131.89 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.88 168.67 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 4.1 mm 55.16 169.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.497 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 2.1 t-80 87.12 113.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.36 84.85 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 14.2 t0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -124.3 148.64 47.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.94 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.5 17.59 4.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 mt -124.57 148.41 47.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.29 162.18 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -103.97 139.11 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 120.09 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.97 -166.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 151.71 46.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.5 m -149.56 103.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.31 151.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt -129.84 88.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.431 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . . . -87.87 -177.53 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.27 158.85 7.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.3 ptt85 -57.36 158.74 9.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.73 11.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.48 83.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.19 -57.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.31 68.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -110.2 -87.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 0.81 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 m -49.61 -31.1 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -44.6 83.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' A' ' 91' ' ' LEU . 7.6 tp -69.0 -43.08 75.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' CD2' ' C ' ' A' ' 24' ' ' LEU . 3.6 tt -43.76 -55.42 4.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -44.07 -70.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.87 -49.73 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.94 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.49 -57.33 4.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.74 62.67 5.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -128.09 39.36 3.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 0.731 . . . . 0.0 110.25 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 54.48 169.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 42.96 81.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.23 118.8 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -103.63 124.0 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -130.98 140.97 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -136.29 151.62 49.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.93 78.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mm -56.86 159.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.52 -63.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.45 50.43 1.43 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.1 p 40.64 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 p -127.37 147.1 50.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.67 -42.62 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -83.9 -0.67 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 63' ' ' ALA . 8.0 p 47.21 32.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.04 99.33 8.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.06 4.51 7.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -92.1 15.39 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 50.36 -175.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.25 166.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.701 ' CE1' HH21 ' A' ' 160' ' ' ARG . 1.2 t-80 -170.48 102.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.72 87.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -41.03 -49.94 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.44 -89.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.82 132.94 24.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 58.58 4.89 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.98 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -134.72 152.88 52.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.534 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.505 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -139.75 98.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.2 mt -113.65 146.35 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -133.96 134.62 42.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 62' ' ' THR . 9.7 t -78.09 104.97 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 45' ' ' VAL . . . -65.31 -97.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.46 -72.28 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.108 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.1 -148.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.41 -47.72 16.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -64.13 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' VAL . . . -45.83 -53.48 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -49.05 -48.46 43.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.046 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -61.29 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -55.12 -29.91 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.1 t -65.55 -26.89 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE1' ' CG ' ' A' ' 82' ' ' GLN . 5.0 mm-40 -90.68 -8.65 49.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 -89.81 -63.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -19.08 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.85 -20.52 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt 50.74 61.36 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.91 89.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.15 162.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.96 9.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.91 134.53 26.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -153.18 -159.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.16 152.59 32.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -149.72 -46.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 76.97 154.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.85 179.57 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.43 155.29 39.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 -7.08 11.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 1.4 tpp180 -163.91 141.14 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.4 p -132.33 127.46 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -100.19 131.6 46.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -124.45 104.86 8.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.448 ' HA ' ' CD ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -82.61 135.31 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.69 109.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.63 148.12 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.366 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' HA3' ' CG2' ' A' ' 122' ' ' THR . . . -62.9 135.55 43.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 97' ' ' THR . 2.3 m 39.31 56.51 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.0 m -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -104.23 98.5 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -107.42 169.92 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.8 -9.79 59.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.01 0.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.517 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.04 -51.78 3.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.04 -36.84 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.66 -13.24 40.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.21 -42.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' A' ' 92' ' ' PHE . 1.1 pt -92.57 25.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.477 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -79.57 -57.75 0.69 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -16.74 20.03 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.85 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.37 48.02 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 tp -174.39 76.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -178.46 157.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.24 37.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 4.2 mm? -121.53 132.62 24.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.5 Cg_endo -75.08 138.15 22.48 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.91 139.77 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.76 ' HZ3' ' HB3' ' A' ' 162' ' ' HIS . 0.5 OUTLIER -117.41 143.95 45.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.66 140.53 38.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.448 ' CD ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.99 -168.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.413 1.744 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.457 ' CG1' HD22 ' A' ' 145' ' ' LEU . 63.5 mt -145.41 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.409 ' CG2' ' HA3' ' A' ' 96' ' ' GLY . 2.1 m -115.06 59.76 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 123' ' ' VAL . 9.8 p -72.6 67.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -91.31 -175.69 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -43.15 160.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.4 m120 64.03 86.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -5.1 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.44 -46.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.19 -37.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.4 m -64.84 -27.44 68.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.67 -30.36 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.592 1.182 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.26 -38.45 63.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.221 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 135' ' ' LEU . 7.8 t -75.19 -54.43 7.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 136' ' ' GLY . 1.6 pt? 38.72 -150.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' A' ' 135' ' ' LEU . . . -76.14 62.01 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.504 ' O ' ' CB ' ' A' ' 138' ' ' SER . 1.2 mpp? 60.86 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER 159.45 -35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.519 ' O ' ' CG1' ' A' ' 140' ' ' VAL . 12.0 pt-20 -166.37 173.17 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 139' ' ' GLU . 6.4 p 50.75 177.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -102.2 122.99 45.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -78.48 136.87 18.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -73.7 -48.8 29.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.41 124.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.457 HD22 ' CG1' ' A' ' 121' ' ' ILE . 1.1 mt -104.3 97.84 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.5 pp -125.96 165.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.21 147.33 33.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.435 ' C ' ' CD2' ' A' ' 148' ' ' LEU . 0.0 OUTLIER -174.64 145.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 27.3 p -125.1 128.79 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.35 64.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.38 -70.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 38.8 p -103.71 6.25 36.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.83 52.54 51.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -40.8 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -135.4 52.33 0.8 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.3 p -77.87 -2.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -50.86 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 9.4 p -59.32 -22.44 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 91' ' ' LEU . 1.4 tm? -78.75 -57.27 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.701 HH21 ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -49.63 -51.19 39.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.384 1.052 . . . . 0.0 110.376 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -49.27 -54.3 17.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.76 ' HB3' ' HZ3' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -54.43 -33.43 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.4 mp -79.06 -24.4 43.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.53 -48.67 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -15.57 50.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 1.4 t -79.29 -59.48 2.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 58.5 mtm -43.8 105.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -75.36 162.2 53.31 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.2 pt -57.44 120.27 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 178.17 145.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.577 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.56 161.41 40.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 13.2 t0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -166.62 128.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.51 -43.09 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 54.16 -176.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.375 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.4 143.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -134.74 148.44 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.63 128.66 2.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 88' ' ' ASP . 0.6 OUTLIER -170.08 150.43 3.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.921 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' CD ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -113.86 146.74 39.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.17 147.34 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.61 139.11 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -123.9 77.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.76 121.03 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 93' ' ' MET . . . -151.75 -168.21 15.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.494 HH21 ' CB ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -78.42 157.99 76.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.743 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -5.08 16.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -146.73 67.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.59 -67.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.68 62.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.381 1.051 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -110.08 -15.96 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -86.59 -56.69 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -55.73 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -58.53 -29.21 66.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.02 -19.73 59.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.82 21.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.26 42.15 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.78 -47.68 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.24 -55.0 1.53 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HD2' ' HE2' ' A' ' 49' ' ' HIS . 4.0 mtt180 -40.83 116.96 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 110.274 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.2 tp10 -38.85 148.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . 62.5 -82.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 32' ' ' ALA . . . 81.82 101.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pt -85.13 154.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.4 149.04 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -116.22 160.81 19.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.29 82.75 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.49 121.84 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.31 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' THR . . . -51.0 110.19 0.91 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 13.9 p -38.53 153.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -91.1 -19.5 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 42' ' ' THR . 22.9 mmt180 66.78 -60.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -67.67 -8.76 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' ARG . 22.8 t 70.55 -60.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.15 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -140.21 23.08 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.84 63.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.517 ' HE2' ' HD2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER 44.02 -165.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.525 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.92 -38.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 50.12 87.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 tp -130.34 97.18 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.3 t70 -55.52 -49.55 72.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . -37.72 -82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.7 140.97 15.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.48 58.11 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -168.33 127.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.558 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -111.3 153.66 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 18.4 mm -106.62 -98.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 60' ' ' ILE . 1.0 OUTLIER 156.38 69.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.455 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 3.0 m -67.02 69.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . -76.12 -160.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.66 -65.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.57 -168.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 0.816 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -73.37 -48.18 36.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -37.34 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.182 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 25.5 t -49.1 -35.9 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' HB2' HH21 ' A' ' 74' ' ' ARG . 30.1 m-20 -80.25 -51.27 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -50.93 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.28 -19.29 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 69' ' ' SER . 16.3 mm-40 -91.9 -9.01 44.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.441 HH21 ' HB2' ' A' ' 70' ' ' ASP . 8.0 mtm180 -93.12 -50.79 5.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.419 ' O ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -68.32 -25.15 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.74 -15.35 58.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.451 1.094 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mt 57.75 101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -172.29 75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.252 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 48.18 -92.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -174.41 -55.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.26 91.73 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 36.94 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 42.96 86.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -78.41 141.19 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' N ' HD12 ' A' ' 84' ' ' ILE . 1.3 mm-40 -82.17 135.66 35.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.32 163.02 14.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.33 149.99 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.464 ' HB2' ' CE ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -138.04 20.13 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.663 ' NH2' ' HZ2' ' A' ' 118' ' ' LYS . 6.4 mmm-85 -164.05 154.19 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.1 t -137.17 147.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 tt -129.07 91.96 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.423 ' CG ' HD23 ' A' ' 119' ' ' LEU . 11.0 m-85 -72.02 162.97 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.457 ' CG ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -149.38 124.76 10.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 110.989 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.58 116.24 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -64.65 113.0 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.14 -151.41 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.7 t -96.65 42.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.0 m -101.35 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.433 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.2 m -119.38 126.33 51.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -160.84 176.31 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.64 177.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.3 t 76.36 -55.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -50.38 -51.7 61.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.01 1.89 7.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -95.64 -39.99 9.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.494 ' CB ' HH21 ' A' ' 15' ' ' ARG . 0.1 OUTLIER -95.46 51.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.25 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 108' ' ' TRP . 3.9 tt -143.45 -48.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -44.41 -56.39 8.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 108.029 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.03 56.45 4.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.369 1.721 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.29 -72.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.505 ' CG ' HG13 ' A' ' 140' ' ' VAL . 3.5 t80 -46.56 -34.99 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pp -95.16 81.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.381 1.05 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.89 -98.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.4 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -68.14 150.18 97.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.05 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 143' ' ' HIS . . . -152.84 169.97 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.663 ' HZ2' ' NH2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -142.36 122.96 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.423 HD23 ' CG ' ' A' ' 92' ' ' PHE . 4.2 mm? -103.98 123.25 41.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.435 ' CG ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.96 175.95 10.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.558 1.82 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 7.7 mt -140.1 148.31 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.4 m -133.17 90.03 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 8.8 m -98.51 83.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.07 120.66 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.377 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 127' ' ' LYS . 5.3 mtp180 57.76 172.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 128' ' ' ALA . 6.9 m120 69.76 -65.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 125' ' ' ARG . 1.9 mttm 68.4 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -51.7 -60.61 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.62 -40.11 71.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.9 mt -89.32 78.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.368 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -162.15 -73.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.39 -48.37 60.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.79 -62.53 1.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 0.793 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 21.7 p -47.22 -63.4 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.416 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -58.71 -75.54 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -37.45 -83.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER 35.13 74.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.981 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER -38.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 44.37 -150.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.505 HG13 ' CG ' ' A' ' 111' ' ' PHE . 1.2 m -106.84 179.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.63 81.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -61.33 140.35 47.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' ALA . 12.6 t-80 -59.53 -40.96 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.606 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -170.62 163.76 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.22 113.13 12.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 13.3 mm -134.42 139.75 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -80.91 160.92 24.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.95 165.64 15.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.191 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.51 146.01 51.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -49.33 -70.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 151' ' ' ARG . 3.6 ptm85 -43.47 135.11 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 3.3 p -38.63 118.3 0.73 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 130.54 176.16 14.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 56.28 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . 81.08 -117.34 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 52.3 t 61.18 -83.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 155' ' ' GLY . 0.3 OUTLIER -51.45 -37.44 48.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 16.0 t -57.02 -38.5 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.447 HD21 ' HZ3' ' A' ' 118' ' ' LYS . 3.3 mp -87.1 -22.52 25.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -37.77 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -32.36 59.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.85 -20.08 61.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -10.81 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -22.6 15.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.21 -50.99 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 167' ' ' MET . 17.4 p -66.95 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 166' ' ' SER . 2.4 mmt 36.99 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.8 123.12 31.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.7 mt -59.91 118.28 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -168.32 152.09 5.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.16 167.67 22.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.175 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -127.49 134.5 49.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.77 -65.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.64 179.73 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.16 140.53 28.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -87.39 147.8 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.21 112.22 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.95 -160.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 111.017 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -150.56 153.25 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -135.65 117.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -76.86 148.58 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mm -116.96 78.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -173.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.44 161.78 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -80.04 151.15 72.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.483 0.755 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 65.58 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.546 1.814 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.98 42.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.369 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.2 -53.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.08 57.12 0.02 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -61.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -41.65 88.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -45.37 79.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 9.0 mt -57.51 -54.64 44.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 mt -45.37 -64.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -47.75 -35.74 10.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 23' ' ' LEU . . . -54.93 -64.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.79 65.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.41 -63.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.05 -50.55 0.79 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -50.54 140.36 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.35 -58.28 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.231 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.07 84.79 2.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.63 -179.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 tp -146.54 96.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.92 143.5 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -125.19 113.6 17.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -98.0 84.06 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tp -142.18 152.29 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.217 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.91 50.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.11 126.6 8.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -72.96 -36.29 67.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.377 0.692 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 m 52.04 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -56.26 -40.7 74.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 46' ' ' LEU . 29.8 m-20 -59.5 -16.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p 43.0 28.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.372 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' N ' ' C ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -117.37 59.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -112.62 11.6 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -96.24 46.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 57.99 -175.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.688 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.2 mm -128.72 83.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -61.89 85.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.9 mm -135.19 107.32 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.2 -31.36 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.37 -65.8 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -136.02 141.69 37.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 147.84 34.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tp 74.36 52.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 148.63 45.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.3 mm -133.46 148.08 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.9 pt -137.42 -177.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -135.77 149.69 49.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 109.266 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 m -105.41 -62.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.23 -167.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.12 -63.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.31 -166.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.38 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 65.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -173.4 -44.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 68.7 p -68.06 -19.29 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.995 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -29.51 13.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -53.3 46.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.0 m -57.98 -28.38 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' GLU . 14.4 mt-10 -87.24 45.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 -48.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -15.49 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -109.32 40.11 2.67 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 78' ' ' GLU . 1.1 mp 69.06 -59.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 77' ' ' ILE . 96.0 mt-10 -34.26 131.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -113.85 -33.94 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 79' ' ' ARG . . . -44.43 163.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.457 ' O ' ' CE3' ' A' ' 81' ' ' TRP . 50.5 p-90 -117.91 57.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.4 173.36 11.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.52 85.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.1 tp -161.19 63.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.85 152.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -79.27 163.84 24.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.13 178.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.47 -49.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.433 ' HG3' ' CB ' ' A' ' 166' ' ' SER . 64.7 mmt-85 -128.97 163.11 26.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 115' ' ' LEU . 90.2 t -131.91 163.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.9 90.98 2.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.79 83.73 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.9 tpt -79.47 140.18 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.77 155.43 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -97.04 101.68 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.91 -137.9 7.3 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.9 t -101.88 29.76 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.7 m -84.24 129.59 34.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.488 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.7 t -124.87 85.72 2.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -173.91 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -7.69 57.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.14 -15.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -58.8 -52.26 75.99 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.94 -9.11 20.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.78 -68.42 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.83 -32.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.1 tt -96.62 99.95 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -179.36 -59.85 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -9.65 20.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.597 1.84 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -89.36 -49.0 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -37.72 -55.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.5 pp -78.71 92.5 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.5 177.23 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -118.5 42.63 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 90' ' ' VAL . 1.3 pt? -149.38 143.21 16.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.08 146.35 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -93.96 177.79 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.04 103.39 1.01 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.36 11.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.415 HD13 ' CG2' ' A' ' 134' ' ' THR . 1.2 pt -104.93 97.11 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -44.21 162.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.6 p -149.6 52.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.46 164.67 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.55 -176.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.6 126.46 3.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.224 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.98 66.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.01 -67.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.5 -71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 131' ' ' THR . 0.0 OUTLIER -64.61 98.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 130' ' ' ILE . 0.9 OUTLIER 168.75 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.55 96.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.72 -16.84 33.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 0.744 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.415 ' CG2' HD13 ' A' ' 121' ' ' ILE . 0.9 OUTLIER -64.31 -61.62 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 pp -86.29 -36.02 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.23 53.83 4.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.412 1.07 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 139' ' ' GLU . 1.0 OUTLIER -109.12 -11.1 14.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 0.724 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.9 m 50.24 -93.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 137' ' ' MET . 55.2 mt-10 47.61 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.24 154.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.08 101.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -75.15 126.03 8.51 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -81.07 78.18 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.563 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 74.14 146.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.38 96.23 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mp -116.05 116.38 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 167.83 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.02 164.53 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.52 96.38 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -45.33 -29.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -53.68 -39.3 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 35.8 p -116.7 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 112.46 51.48 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.567 1.167 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.24 -70.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.286 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -110.26 62.87 0.28 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 1.4 p -97.21 -24.79 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -95.22 -13.54 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.03 -56.97 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.19 -22.85 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -24.52 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -76.2 -32.03 58.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -95.68 20.45 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -61.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -47.13 84.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -48.8 -62.92 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.433 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 3.5 m -49.97 -57.96 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.075 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 8.8 mtt -39.77 114.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -65.81 168.04 33.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 15.9 tt -88.56 137.77 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -171.09 151.83 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.556 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -176.01 -49.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 57.8 t0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.86 129.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 174.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp 73.01 150.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.248 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -153.14 -45.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.09 171.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.71 141.32 4.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.411 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -149.87 -172.77 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.969 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -98.69 147.12 25.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.86 110.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -106.3 151.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -144.6 78.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.88 131.35 44.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.91 165.17 38.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.75 HH21 ' HD2' ' A' ' 100' ' ' ASP . 0.9 OUTLIER -39.65 137.96 1.04 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 134.7 18.07 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.471 1.774 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.6 t-20 80.94 61.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.17 -46.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.0 48.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.24 -30.77 12.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -46.7 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 m -60.53 -38.99 86.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -59.39 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.96 -44.44 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 14.9 m-20 -84.08 82.99 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 25' ' ' ASN . . . 167.33 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.39 -41.71 93.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -58.03 7.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.69 64.73 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -118.53 92.08 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.238 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -39.05 -55.29 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.97 94.29 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.49 171.81 7.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tt -167.45 142.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.88 151.37 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -137.43 141.61 41.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.57 97.87 8.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLY . 5.8 tp -42.15 -48.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.2 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -106.2 118.18 5.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -38.91 138.77 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.726 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 t -91.74 114.08 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -27.87 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -69.07 -18.38 63.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ARG . 36.8 t 70.15 -59.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HB2' ' OG1' ' A' ' 62' ' ' THR . 0.6 OUTLIER -44.52 94.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' VAL . 6.8 ttp85 -119.45 -13.2 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.51 48.74 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER 41.91 -161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.404 ' CG1' ' N ' ' A' ' 51' ' ' HIS . 15.3 tt -112.38 166.53 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.404 ' N ' ' CG1' ' A' ' 50' ' ' ILE . 12.2 t-160 -107.98 59.54 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' GLY . 30.0 mm -43.63 -76.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t70 69.77 -65.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -80.56 -98.55 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -105.98 133.76 20.06 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.542 0.789 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.81 -57.89 0.56 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 171' ' ' ARG . 1.9 t-80 -47.84 114.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.604 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -94.33 150.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.358 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -134.75 133.74 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CB ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -106.52 118.37 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.461 ' HB ' ' CG ' ' A' ' 9' ' ' LYS . 82.6 p -111.88 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.467 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.11 -98.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.6 -89.87 0.14 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -177.3 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -64.31 -53.62 45.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.44 -70.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.21 -45.63 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -70.42 64.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.97 -55.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -39.89 93.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.427 ' HB ' ' CB ' ' A' ' 61' ' ' ASP . 28.7 m -49.38 -45.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 78' ' ' GLU . 8.0 mm-40 -61.34 -27.97 68.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.35 -40.07 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.18 -34.1 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.81 21.02 47.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.0 mm 47.71 84.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.7 mp0 -158.97 152.3 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 79' ' ' ARG . 22.0 ttp-105 -76.68 131.94 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.23 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.6 t90 66.55 70.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 108.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -70.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.32 165.92 3.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -177.56 131.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -79.27 165.71 22.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 150.0 29.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.01 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -122.16 -64.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -110.98 143.85 41.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.441 HG11 ' CB ' ' A' ' 117' ' ' ALA . 12.2 p -136.69 130.51 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.689 ' CD1' ' HZ3' ' A' ' 118' ' ' LYS . 9.4 tt -139.65 95.66 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 119' ' ' LEU . 17.2 p90 -97.13 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 tpt -64.6 148.82 50.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.405 HG23 ' CE2' ' A' ' 92' ' ' PHE . 88.6 t -118.49 139.11 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.14 108.97 10.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.05 -154.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.424 1.078 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 t -77.43 -39.53 46.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -47.6 120.16 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 m -112.8 92.77 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.75 ' HD2' HH21 ' A' ' 15' ' ' ARG . 5.3 m-20 -53.83 172.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.23 -10.85 59.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 34.6 t -94.17 -17.38 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.78 -51.74 73.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.97 -28.49 9.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.53 71.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -28.85 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.499 ' CD1' ' CB ' ' A' ' 110' ' ' GLU . 1.5 tp -106.64 26.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.3 -51.46 34.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.08 -42.09 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.541 1.811 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.499 ' CB ' ' CD1' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -46.04 -52.66 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.338 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -37.75 -55.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.438 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 1.1 pt -93.58 107.85 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 112' ' ' ILE . . . 167.57 127.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -68.78 72.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 4.3 pp -161.18 133.23 4.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.1 Cg_endo -74.97 146.66 33.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.441 ' CB ' HG11 ' A' ' 90' ' ' VAL . . . -128.12 -173.1 2.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.689 ' HZ3' ' CD1' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -140.18 160.62 39.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 92' ' ' PHE . 0.2 OUTLIER -141.72 116.03 6.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 133.72 16.92 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 10.8 mm -82.01 148.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' A' ' 130' ' ' ILE . 16.7 m -101.88 115.04 29.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.088 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.8 t -114.23 46.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.253 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 19.7 m -125.57 162.33 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.59 -162.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.18 133.96 56.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -73.83 -20.81 60.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.11 76.3 10.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.33 -41.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 122' ' ' THR . 55.4 mt -51.44 -70.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.595 1.184 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.471 ' HA ' ' CG2' ' A' ' 134' ' ' THR . 3.6 t -39.52 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.461 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 130' ' ' ILE . . . -69.82 -51.15 25.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -63.91 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.338 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 131' ' ' THR . 4.8 t -40.07 -50.65 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.0 mt -41.39 -53.13 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -113.98 47.6 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER -36.6 -38.72 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.4 m 172.28 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.49 96.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 117.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 86.2 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -81.98 144.86 24.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 1.4 t-80 -40.25 -53.33 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 0.819 . . . . 0.0 109.571 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.475 ' CB ' ' HD3' ' A' ' 118' ' ' LYS . . . -153.98 -171.09 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 119' ' ' LEU . 0.0 OUTLIER -166.91 105.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 6.9 mt -133.16 144.57 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -47.55 157.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.11 152.4 31.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.1 t -148.31 148.55 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.46 -75.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 154' ' ' GLU . 23.8 m -71.89 81.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -52.1 89.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 152' ' ' THR . 1.8 mm-40 -56.21 -50.8 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.447 ' CA ' HG23 ' A' ' 158' ' ' VAL . . . -137.79 71.85 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.54 -12.55 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.12 -17.86 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.447 HG23 ' CA ' ' A' ' 155' ' ' GLY . 26.7 m -87.86 -4.99 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.64 -30.05 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -61.48 -34.96 76.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -55.02 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -43.82 -40.02 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.9 -45.5 64.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 53.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.58 -45.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 28.9 p -75.55 -14.44 60.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.079 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.7 114.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -84.4 155.0 30.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.9 pp -50.96 175.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 73.14 155.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . 0.446 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -102.36 -24.64 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.46 82.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 0.715 . . . . 0.0 110.037 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.36 -66.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.58 156.96 37.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -113.9 169.83 8.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.66 -177.79 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 113.3 1.02 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.458 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -178.0 132.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 111.017 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -174.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.19 131.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.326 1.016 . . . . 0.0 109.375 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 12' ' ' ILE . 59.5 t -90.32 151.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.405 ' N ' HG11 ' A' ' 11' ' ' VAL . 71.2 mt -142.16 69.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' A' ' 90' ' ' VAL . . . -61.57 -167.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.88 -170.5 16.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.67 157.7 38.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 142.07 27.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 72.42 71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.448 ' CB ' ' HE2' ' A' ' 93' ' ' MET . . . -168.04 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' SER . . . -179.02 -124.51 0.88 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.7 -75.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' GLY . 99.8 p -50.26 -31.47 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -83.14 -48.96 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.96 -66.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -41.11 -60.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.81 -50.74 25.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.31 -48.18 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.32 53.38 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.74 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 -56.07 0.71 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -61.06 143.97 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -60.06 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 148.86 28.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.45 125.87 52.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mt -125.12 110.69 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.68 138.57 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.8 p -112.5 129.78 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -99.31 78.96 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.26 140.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.01 54.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -141.67 126.78 3.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -84.9 93.45 8.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 0.741 . . . . 0.0 110.434 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.3 p -46.12 145.12 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -48.44 68.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.474 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 2.5 p30 -66.4 -17.86 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 44' ' ' ASP . 9.1 p 47.69 30.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.422 ' O ' ' CG ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -123.28 65.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 13.39 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.48 42.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.8 t60 50.14 -172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 0.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 58' ' ' HIS . 4.0 pt -144.53 83.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.884 ' HE2' ' HD2' ' A' ' 53' ' ' ASP . 13.1 t-160 -42.68 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.0 tp -125.95 102.11 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.626 1.204 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.884 ' HD2' ' HE2' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -99.03 96.74 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.69 -75.63 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.75 147.9 60.27 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.454 0.738 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -38.46 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.08 90.61 0.86 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.484 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -176.55 90.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 109.637 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.35 130.31 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 59.3 mt -109.52 165.92 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' N ' ' CG2' ' A' ' 60' ' ' ILE . 11.3 m-20 -139.6 131.75 28.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 78.4 p -114.09 50.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.458 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.09 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.436 ' O ' ' CD1' ' A' ' 65' ' ' LEU . . . 88.44 20.27 49.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -171.8 177.31 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.86 -21.09 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.43 -48.93 8.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.99 -4.55 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.69 -52.65 8.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.57 -43.71 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.21 -47.3 62.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -72.4 -21.01 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.14 49.17 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -167.64 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.42 27.14 21.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.7 mt 44.87 86.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.23 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -155.73 160.45 40.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.245 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.97 168.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.247 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.13 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -101.81 -175.4 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 108.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.88 -175.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.27 156.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 72' ' ' VAL . 97.0 mt 64.34 151.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 86' ' ' GLN . 38.1 tt0 -136.07 -62.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.5 mt-30 166.13 145.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.48 161.73 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.45 42.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.423 ' NH1' ' O ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -175.66 126.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.419 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 7.3 p -130.63 99.1 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tp -77.33 89.14 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -88.78 105.59 17.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.448 ' HE2' ' CB ' ' A' ' 18' ' ' ALA . 3.0 ptm -96.22 162.03 13.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -136.47 176.24 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 2.9 t0 -119.3 114.74 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASP . . . 36.97 -150.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.6 t -83.8 2.45 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.362 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 p -78.82 87.25 4.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 m -104.28 69.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -166.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.69 37.34 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.7 p -116.73 -35.67 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.568 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.13 -48.68 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -75.01 -2.83 13.05 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -102.88 -9.17 20.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.94 -0.37 14.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 139' ' ' GLU . 4.0 tt -92.75 -7.45 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.471 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -64.98 -55.74 25.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.0 Cg_endo -75.02 55.57 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -169.3 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.455 ' CD1' HG21 ' A' ' 140' ' ' VAL . 13.3 t80 -39.67 -41.74 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -101.33 113.21 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.449 ' HB3' ' CD2' ' A' ' 115' ' ' LEU . . . 172.15 -178.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -105.42 -18.14 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 113' ' ' ALA . 1.5 pt? -81.65 141.91 48.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.8 Cg_endo -74.92 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.13 130.81 18.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.33 124.11 48.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -116.49 134.46 22.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 57.2 mt -141.74 -49.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.5 m 69.64 74.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.634 1.209 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' ' 124' ' ' VAL . 9.1 p -56.62 -56.18 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.49 ' C ' ' O ' ' A' ' 123' ' ' VAL . 17.8 m 34.15 -147.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.208 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.44 ' N ' HG21 ' A' ' 124' ' ' VAL . 6.6 mtt85 -61.57 114.42 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.72 59.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -78.59 -173.71 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.21 55.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 133' ' ' GLU . 30.8 m-20 -149.97 -45.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -39.32 -33.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.419 ' N ' ' C ' ' A' ' 129' ' ' ASP . 6.7 m -83.66 -52.68 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.33 -11.56 34.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 129' ' ' ASP . 25.2 tp10 -99.22 -52.94 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -41.63 -43.4 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -31.55 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.75 -42.83 53.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 61.76 3.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.47 43.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 5.1 pt-20 -102.65 102.82 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 72.33 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -81.76 114.02 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.95 -110.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.85 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 0.731 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -109.74 -34.8 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 28.8 mt 45.87 71.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 42.7 mt -129.72 147.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 168.81 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.233 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.32 -177.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.44 156.58 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.04 -84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -61.55 -71.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 32.6 m -72.32 60.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -54.14 98.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.33 -51.37 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -127.23 73.92 0.44 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.1 t -95.45 -23.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 160' ' ' ARG . 3.1 p30 -73.39 -44.15 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 28.0 m -40.3 -42.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.06 -47.32 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.0 OUTLIER -51.28 -55.78 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -50.41 -44.06 54.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.423 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 46.5 m-70 -94.2 50.19 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.24 -50.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.62 1.2 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -14.75 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.92 -32.39 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -65.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.433 ' HB3' ' CB ' ' A' ' 8' ' ' MET . 3.0 mmm -146.07 157.63 43.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -171.13 -46.48 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -35.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -57.8 136.87 57.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -167.68 -48.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.595 1.184 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m -87.86 -64.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.76 69.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tp -164.35 -53.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 71.8 147.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.3 119.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.96 175.89 20.57 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.1 -176.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' CB ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -120.08 160.12 23.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.237 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.13 108.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.7 p -88.8 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 ' CD1' ' N ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -133.38 129.95 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.65 130.65 53.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.54 143.55 8.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.26 157.12 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.43 5.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.817 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 169.63 164.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 17' ' ' ASN . . . 79.9 58.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 -107.43 2.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptm 71.58 -77.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.407 0.71 . . . . 0.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -72.97 -35.95 67.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.45 -55.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -40.29 79.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.54 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.52 -66.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.16 -53.77 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.73 -59.47 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ARG . . . 112.52 -50.8 0.74 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 6.9 mtt180 -38.86 112.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -38.87 -58.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.56 99.48 10.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.44 168.25 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.746 HG22 ' HE2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -128.03 127.22 67.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.94 127.15 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.8 p -125.64 120.38 30.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.396 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 105.52 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -168.28 145.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.407 ' N ' HD12 ' A' ' 38' ' ' ILE . . . -83.7 60.49 5.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.96 -44.85 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.0 m 51.48 49.24 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.436 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.3 142.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -12.17 60.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.61 -2.69 54.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG21 ' CB ' ' A' ' 68' ' ' ALA . 69.8 t 66.56 -68.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' ASP . 12.1 tp -38.36 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.38 17.36 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' OE1' ' CD1' ' A' ' 12' ' ' ILE . 0.8 OUTLIER -125.02 52.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.746 ' HE2' HG22 ' A' ' 34' ' ' ILE . 36.8 m80 45.41 -169.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 tp -123.14 144.02 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.827 ' NE2' ' HE ' ' A' ' 160' ' ' ARG . 13.1 t-160 -105.21 101.08 10.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.95 121.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -55.83 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.92 27.51 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.21 162.71 21.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.73 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.11 37.68 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -117.14 102.06 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.58 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.54 143.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 8.2 mt -124.06 -66.36 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 60' ' ' ILE . 1.5 m-20 81.52 97.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 53.7 m -45.79 -48.91 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.063 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.5 -162.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.77 -85.74 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.39 137.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 mtt85 61.21 -90.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.435 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -47.34 -33.93 6.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.7 m -81.34 52.31 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -166.67 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -33.24 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.8 m -64.65 -17.53 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.178 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.57 -34.17 12.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -70.31 -44.76 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.96 -40.21 88.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 77' ' ' ILE . . . -86.7 6.54 82.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.405 ' CG1' ' C ' ' A' ' 76' ' ' GLY . 1.2 pt 39.82 85.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -161.01 87.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.05 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.66 -54.69 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.16 103.34 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -93.12 -75.83 0.49 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.64 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER 62.13 141.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -102.86 170.8 7.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.115 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -102.82 128.6 49.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.33 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.87 54.07 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 175.73 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 53.4 t -103.0 134.49 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD21 ' CE ' ' A' ' 93' ' ' MET . 14.9 tp -137.61 113.96 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.17 122.91 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.437 ' CE ' HD21 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -80.71 154.96 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -149.68 142.95 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -66.93 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.31 -75.2 0.2 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 97' ' ' THR . 3.2 m -103.76 41.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 0.81 . . . . 0.0 110.389 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.3 p -123.05 141.56 51.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -141.9 146.46 35.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -167.2 -167.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.94 17.46 24.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.25 -29.33 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.587 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.79 -47.7 3.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.186 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.1 -11.32 21.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.85 59.33 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 0.9 OUTLIER 171.96 -32.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.3 pp -77.68 -39.58 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -56.99 -59.74 11.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.046 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -146.97 -60.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.54 ' CD2' HG23 ' A' ' 140' ' ' VAL . 3.3 t80 -37.1 -40.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 41.8 mm -69.29 78.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -172.92 162.52 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.88 61.14 1.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.02 142.03 12.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 142.39 27.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.72 120.32 21.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 1.4 mtmm -84.11 170.64 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.7 tp -141.39 117.19 7.25 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.48 14.33 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.3 mm -109.34 137.38 41.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 14.8 t -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.16 42.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 125' ' ' ARG . 11.8 p -85.29 78.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 124' ' ' VAL . 0.0 OUTLIER 35.48 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 125' ' ' ARG . 15.7 t-20 -50.18 -72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER 39.93 83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 44.42 27.28 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER 64.68 128.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 130' ' ' ILE . 1.8 pp -106.4 54.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.232 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.3 m -140.61 -63.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -38.75 -49.94 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.97 -49.3 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 11.0 m -39.85 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.78 -15.59 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.64 -45.72 82.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.1 ptp -86.12 60.8 6.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.5 p -103.63 36.45 2.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -42.91 -54.57 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.54 HG23 ' CD2' ' A' ' 111' ' ' PHE . 54.0 t -121.9 146.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -63.92 79.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -48.13 135.23 17.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -43.9 -49.88 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.507 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.08 167.96 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 46.2 mt -126.27 110.79 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 13.0 mm -136.18 139.27 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -80.26 148.14 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.1 tp -132.06 136.31 47.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 t -109.54 -33.88 6.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.952 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 72.35 -61.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -41.15 -62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 5.4 t -107.99 17.39 22.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 39.92 68.44 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -121.12 42.49 1.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.2 p -70.76 -11.5 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.53 -29.57 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 33.4 t -66.2 -37.54 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 16.3 mt -91.84 21.6 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.827 ' HE ' ' NE2' ' A' ' 51' ' ' HIS . 7.8 tpt180 -123.79 -41.93 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -70.37 -57.08 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.66 -27.19 68.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 tt -67.88 -49.37 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.05 -25.59 65.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.183 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -45.55 61.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 13.9 t -49.66 -44.53 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.1 mtm -52.68 104.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 -177.05 21.97 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 5.7 mt -64.85 144.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 1.0 OUTLIER 82.41 152.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.11 -9.46 12.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.614 1.196 . . . . 0.0 109.378 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -50.02 94.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.958 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -125.15 -61.93 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.45 -174.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.61 141.22 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.0 170.34 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 120.97 0.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.25 163.28 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -109.51 157.24 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' A' ' 163' ' ' LEU . 9.8 p -143.3 145.96 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -117.26 147.87 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.9 mt -129.0 73.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.59 160.38 28.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.94 168.57 24.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.07 155.87 92.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.12 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.44 75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.062 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.15 -48.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.5 68.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -116.19 -40.22 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -67.43 -55.65 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m -57.75 -44.61 86.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -48.25 73.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -50.44 -49.92 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -44.2 -53.73 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.8 -60.15 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tt -76.36 69.56 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 178.09 -65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.48 -117.67 2.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 39.27 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -40.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.38 -72.73 0.12 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 71.01 95.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -124.92 123.89 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -110.66 152.56 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.2 p -106.61 136.99 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -97.76 71.99 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.9 153.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.34 -43.89 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.31 127.68 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 p -77.32 111.92 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.0 m -63.6 113.31 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -56.5 -39.97 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -63.87 -14.11 50.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 44' ' ' ASP . 25.4 t 67.74 -60.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' ASP . 14.1 tp -38.32 98.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -138.26 14.99 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 53.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.1 m170 46.47 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.629 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -135.51 88.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -51.46 99.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.578 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 2.4 mp -63.6 -83.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 3.2 t70 77.35 -60.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.61 -96.46 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -115.83 159.38 39.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.767 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.21 2.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.454 1.765 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 72.91 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.536 ' HE2' ' CG ' ' A' ' 172' ' ' ASP . 1.6 t-80 -156.35 117.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.582 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.67 122.72 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.2 mt -109.63 152.39 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.83 112.94 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 75.8 p -83.92 67.63 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.426 ' CB ' HG23 ' A' ' 84' ' ' ILE . . . -54.0 174.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.33 -58.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.579 1.174 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.9 165.44 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.384 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.57 -51.1 64.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.74 -62.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.25 -57.99 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.47 -32.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -89.78 -49.95 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.55 -50.64 52.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.9 m -54.65 -49.54 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -57.7 -24.51 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.365 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -75.48 -34.57 60.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.236 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.1 mm -75.89 -31.04 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.13 8.05 80.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.0 mm 50.14 63.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -174.44 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.67 156.36 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.75 -58.32 8.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -91.86 114.6 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -166.43 134.33 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -69.8 144.37 52.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.426 HG23 ' CB ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -142.13 128.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.234 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.55 154.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.69 175.84 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.3 135.27 38.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.61 -54.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 166' ' ' SER . 58.2 mtt180 -125.87 137.35 53.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.03 148.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.461 HD12 ' HZ3' ' A' ' 118' ' ' LYS . 1.6 mm? -114.74 68.98 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.517 ' CE1' HG12 ' A' ' 107' ' ' ILE . 5.3 t80 -62.83 107.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 mmt -98.3 121.61 40.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.9 t -131.72 135.1 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.58 -36.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 122' ' ' THR . . . 81.85 29.25 39.24 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.7 m -155.81 -47.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 98' ' ' THR . 3.7 t -97.58 117.97 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.9 m -111.38 71.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 110.393 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.33 178.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.58 3.82 42.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.7 t -99.39 -30.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -54.1 -51.68 75.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.05 -11.48 21.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.54 -9.05 58.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.71 8.23 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.517 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -109.6 -34.64 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.213 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.473 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.77 -56.57 9.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 109' ' ' PRO . 3.3 mt-10 -166.63 -50.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.353 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -39.73 -46.59 1.91 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.459 ' C ' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -84.45 96.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.87 -164.4 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.3 51.96 1.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.87 142.68 15.32 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 158.58 41.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.51 164.56 27.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HZ3' HD12 ' A' ' 91' ' ' LEU . 11.9 mttp -115.26 145.46 42.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 118.56 5.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.424 ' CB ' ' HA ' ' A' ' 147' ' ' ARG . 18.3 Cg_endo -74.96 147.3 33.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 12.6 mm -75.24 -125.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 96' ' ' GLY . 1.5 t -177.35 138.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.455 ' HA ' ' CD1' ' A' ' 130' ' ' ILE . 11.1 p -148.74 36.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.9 m -112.88 175.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.49 -161.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -61.46 -178.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -94.91 -50.99 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.8 75.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.15 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 123' ' ' VAL . 3.4 pt -93.09 22.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -115.61 -49.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.64 -66.55 2.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -42.04 -42.92 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 0.808 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -47.06 -80.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.452 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.85 -41.06 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.47 -45.25 29.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 95.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.9 t -149.76 52.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -62.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.27 147.44 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -46.79 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 64.13 145.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 162' ' ' HIS . 22.8 t-160 -96.21 -54.94 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -107.67 150.14 27.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.0 mt -143.44 60.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.8 mm -122.32 135.93 60.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.424 ' HA ' ' CB ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -70.63 179.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 110.345 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 179.81 154.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 153' ' ' GLY . 6.0 p -133.66 100.91 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.012 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -43.49 -60.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 10.0 t -126.91 15.97 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 50.61 71.55 0.62 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -60.75 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.2 69.45 0.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 39.0 t -88.68 -32.08 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.16 47.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 7.3 mt -152.4 -48.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -19.69 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 164' ' ' LYS . 63.5 m-20 -71.66 -70.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 143' ' ' HIS . 3.4 m-70 -40.07 -48.72 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.407 ' CD2' HG12 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -49.55 -48.04 48.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 161' ' ' ASN . 0.0 OUTLIER -87.12 47.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -145.67 -46.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.241 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 89' ' ' ARG . 60.1 p -70.12 -22.16 63.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -58.76 132.74 54.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -98.55 158.38 20.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 pt -76.95 96.7 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.92 169.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.556 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.86 87.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . 0.536 ' CG ' ' HE2' ' A' ' 58' ' ' HIS . 12.8 t0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.28 127.31 47.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tp -132.06 62.07 1.65 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.4 mt -146.12 -67.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.22 132.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.83 166.44 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.2 115.16 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.481 ' CB ' ' HB3' ' A' ' 167' ' ' MET . 0.0 OUTLIER 176.87 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' CG1' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -107.22 -162.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 9' ' ' LYS . 1.4 m -150.75 -174.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 p -135.05 128.74 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.443 ' CG2' ' HG ' ' A' ' 91' ' ' LEU . 2.6 pp -129.9 113.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.03 159.36 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.01 -166.14 33.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 135.55 1.36 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.68 33.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.1 t30 42.19 64.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.98 32.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.27 60.57 1.05 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.112 . . . . 0.0 111.046 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 -64.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 0.811 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -59.58 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.87 -37.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -56.88 15.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.393 1.058 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -48.01 -54.38 13.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -43.1 -50.62 6.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.7 -58.94 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 tp -50.99 -66.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -45.92 -59.08 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.31 59.41 7.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -115.58 115.42 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.384 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -39.28 111.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.84 90.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.28 -178.93 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 tt -138.63 110.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.193 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.0 133.33 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 p -112.11 173.02 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -131.02 81.93 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.18 143.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.27 -58.38 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.75 38.91 3.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 m 42.6 -157.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 0.736 . . . . 0.0 110.381 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.6 m -141.34 141.67 33.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.9 84.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -4.83 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.7 p 43.22 31.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -107.63 76.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.72 11.47 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' HIS . 25.5 mm-40 -106.7 23.64 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLU . 60.8 m80 46.65 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.535 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.517 ' N ' ' CD1' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -139.46 149.16 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.471 ' CE1' ' NH2' ' A' ' 160' ' ' ARG . 6.7 t-80 -125.75 140.93 52.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 tp -142.71 97.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.07 95.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.7 -128.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.64 120.17 5.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.25 14.96 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.9 70.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -157.21 135.22 10.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.5 mm -139.75 114.47 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.3 mt -95.46 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' HA ' ' CD1' ' A' ' 46' ' ' LEU . 3.5 p-10 -144.67 148.71 34.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 43.3 p -110.72 69.0 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.61 -96.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 55.01 19.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.24 163.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -24.74 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -93.3 -49.43 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 72' ' ' VAL . . . -55.76 -39.27 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.619 1.199 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -47.55 -33.56 6.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -80.61 -67.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.85 -23.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' ALA . 4.7 t -67.5 -43.56 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -36.64 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -66.65 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -23.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.97 4.82 84.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm 50.94 64.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.09 -178.68 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' TRP . 2.3 mtm180 -97.43 134.58 40.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 66.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.383 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -155.36 -53.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -46.08 128.98 9.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -56.29 178.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.439 ' CD1' ' OD1' ' A' ' 61' ' ' ASP . 5.2 tp -155.73 119.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.447 ' HG2' ' CE1' ' A' ' 170' ' ' HIS . 1.1 mm-40 -53.15 132.19 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -88.28 156.49 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.92 171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.499 ' OD1' ' CE ' ' A' ' 167' ' ' MET . 41.9 m-20 -156.88 -53.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.734 ' NH2' ' HD1' ' A' ' 143' ' ' HIS . 5.8 tpt85 -100.93 148.77 24.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.358 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 91.8 t -139.8 161.79 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' HG ' ' CG2' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.4 103.69 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 35.3 p90 -107.42 107.85 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 150.97 43.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.85 130.06 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.27 103.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.211 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.82 -128.44 1.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.403 ' CG2' ' CG2' ' A' ' 122' ' ' THR . 37.5 p -110.99 78.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.8 p -123.11 121.21 35.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -107.27 107.12 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.31 176.73 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.9 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.9 p -94.46 2.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.53 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.66 -51.19 3.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.99 1.02 8.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.446 1.761 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -47.8 -31.03 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -149.15 57.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 103' ' ' ASP . 62.8 mt -131.11 -61.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.502 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.4 OUTLIER -40.92 -53.92 5.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -160.76 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' ALA . 6.8 mm-40 68.3 -68.74 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.512 ' CG ' HG13 ' A' ' 140' ' ' VAL . 7.7 t80 -46.71 -26.22 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.3 pt -68.44 -39.16 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 110' ' ' GLU . . . -63.31 -172.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 114' ' ' ARG . 4.0 ttm105 -101.57 66.77 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -169.7 112.71 0.49 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.84 42.97 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.26 147.89 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.406 ' HG2' ' CB ' ' A' ' 144' ' ' ALA . 17.1 mttp -83.73 156.92 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.81 131.17 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.77 36.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.427 HD12 ' CG2' ' A' ' 134' ' ' THR . 1.2 mm -133.85 122.93 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 130' ' ' ILE . 9.9 t -78.13 140.96 39.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 14.8 p -148.07 51.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.6 p -145.65 -169.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 41.45 -161.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.74 174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -101.98 -35.76 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.57 50.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.63 -45.97 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.418 ' HA ' ' CG2' ' A' ' 122' ' ' THR . 4.3 mt -45.16 -32.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' GLY . 13.1 t -102.9 -24.69 13.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' THR . . . -35.66 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.4 49.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.427 ' CG2' HD12 ' A' ' 121' ' ' ILE . 47.2 m -115.9 -49.98 2.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -39.41 20.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -88.21 42.84 3.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.97 81.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' GLU . 0.5 OUTLIER -43.5 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.969 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 140' ' ' VAL . 0.6 OUTLIER 37.93 84.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.531 ' CG2' ' N ' ' A' ' 141' ' ' ASN . 1.1 m 38.23 -157.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.531 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 4.4 p-10 -104.11 101.17 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.32 144.7 32.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.108 . . . . 0.0 110.961 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.734 ' HD1' ' NH2' ' A' ' 89' ' ' ARG . 11.5 t-80 -102.18 -37.33 8.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.624 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.406 ' CB ' ' HG2' ' A' ' 118' ' ' LYS . . . -143.51 122.66 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -111.48 79.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 147' ' ' ARG . 3.4 mp -115.6 162.5 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.422 ' N ' ' CG2' ' A' ' 146' ' ' ILE . 0.2 OUTLIER -120.14 170.03 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -173.9 154.01 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 151' ' ' ARG . 11.8 t -115.7 -0.14 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 64.77 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.2 OUTLIER -39.95 -50.6 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 11.1 m -83.13 -60.88 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.63 39.84 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 154' ' ' GLU . 4.7 pt-20 -81.99 67.59 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.03 59.77 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' LEU . 54.0 t -116.16 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.59 58.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 2.3 p -58.51 -24.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 156' ' ' VAL . 0.7 OUTLIER -91.43 -34.22 14.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.471 ' NH2' ' CE1' ' A' ' 51' ' ' HIS . 25.8 ttt180 -62.59 -26.49 68.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -74.67 -42.15 58.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -70.31 -11.57 61.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.524 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.1 mp -91.02 8.25 36.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.05 -46.7 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -33.6 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 6.0 p -46.7 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.499 ' CE ' ' OD1' ' A' ' 88' ' ' ASP . 4.3 tpp -135.05 115.2 13.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -113.41 -84.73 1.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.7 mt -41.39 120.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.447 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 55.9 t60 -178.52 124.29 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.67 138.56 22.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 9.0 t70 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 56.62 107.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.995 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.41 -52.97 2.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.365 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' CD2' HG22 ' A' ' 169' ' ' ILE . 0.1 OUTLIER -89.69 134.94 33.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 106.9 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -176.94 6.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.02 134.89 3.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttp -173.69 142.66 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -101.36 162.96 12.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.6 p -127.6 158.7 38.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.199 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 90' ' ' VAL . 10.8 p -120.41 138.55 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -132.5 77.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.78 156.99 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.33 160.73 10.0 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 102' ' ' VAL . 15.6 ttt180 -42.37 135.2 2.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.05 6.47 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 51.86 36.56 18.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.44 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.34 53.24 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.544 1.153 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -98.16 -33.87 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -43.84 80.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 m -57.46 -61.51 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.8 -40.54 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -41.91 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 26' ' ' ALA . 2.2 p-10 -49.72 -48.9 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.481 ' N ' ' ND2' ' A' ' 25' ' ' ASN . . . -43.29 -49.79 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.23 68.54 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.07 -59.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.58 -44.85 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' CZ ' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -45.99 114.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.2 mm-40 -38.39 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.46 -78.01 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 73.84 -175.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 tp -140.67 143.58 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 36' ' ' THR . 5.1 p -159.17 164.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.523 ' CG2' ' N ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 82.95 -168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 36' ' ' THR . 5.9 m-20 60.04 41.63 17.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 mm -124.92 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.15 111.51 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 41' ' ' THR . . . 106.75 6.34 35.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' GLY . 5.6 p 43.09 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 43' ' ' ARG . 4.9 t -113.83 179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.066 . . . . 0.0 110.459 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 42' ' ' THR . 0.0 OUTLIER -92.88 8.74 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 46' ' ' LEU . 77.2 m-20 -127.92 5.92 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 62' ' ' THR . 14.8 p 39.31 32.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.411 ' N ' ' C ' ' A' ' 44' ' ' ASP . 4.1 tp -120.36 73.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -113.0 -3.24 14.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.07 29.65 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 t-80 55.96 -155.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.556 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.477 ' C ' ' CD1' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -167.53 108.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.639 ' NE2' ' HD2' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -57.53 141.57 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 54' ' ' GLY . 2.1 pp -96.57 -42.62 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.639 ' HD2' ' NE2' ' A' ' 51' ' ' HIS . 0.4 OUTLIER 70.13 -62.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -90.58 -99.68 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.64 128.94 44.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 62.98 5.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.75 88.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.96 137.87 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.41 146.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 9.3 mm -130.14 -70.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . 0.2 OUTLIER 65.14 103.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.46 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 2.9 t -86.68 116.05 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.46 -96.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 25.68 56.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tp -162.64 169.73 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -32.94 32.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 1.69 49.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -32.89 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -50.45 71.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -67.97 -24.42 65.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.81 -31.98 31.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 61' ' ' ASP . 2.2 t -71.23 -31.28 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 81' ' ' TRP . 7.3 pt-20 -95.33 39.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 -46.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.5 tp -57.78 -29.06 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.39 11.24 59.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 9.5 mm 43.59 79.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 0.735 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -147.09 86.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 78' ' ' GLU . 0.6 OUTLIER 43.47 -166.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.09 54.49 1.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.425 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -176.38 69.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.065 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.19 151.5 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.88 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 tp -155.33 39.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 45.08 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.351 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.23 176.39 8.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.32 134.2 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.48 12.6 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.526 ' NH2' ' HD1' ' A' ' 143' ' ' HIS . 0.0 OUTLIER 175.19 135.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.454 ' CG2' HG12 ' A' ' 11' ' ' VAL . 4.0 p -125.9 147.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.74 102.43 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -66.19 -164.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.7 mmm -137.14 -76.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t 57.51 -175.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -118.33 -40.36 2.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.67 -54.11 0.77 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 t -127.91 32.32 4.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.566 0.803 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -128.8 142.95 50.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.7 t -134.1 137.78 44.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.86 -168.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.09 -23.38 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -95.52 -8.78 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.512 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.33 -52.13 4.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.1 Cg_endo -75.07 -20.11 17.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.33 2.64 43.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.96 -7.66 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -110.55 -12.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.563 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 4.4 m95 -63.47 -50.59 72.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -74.94 2.09 6.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.45 ' OE1' ' CG2' ' A' ' 90' ' ' VAL . 1.7 mm-40 -101.93 -51.86 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -37.76 -50.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.0 pt -75.59 83.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.38 161.28 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.44 -10.23 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 153.64 85.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.65 20.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -118.13 159.07 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -136.58 129.02 30.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -115.08 119.69 38.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.366 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.26 37.72 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.47 99.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.5 m -71.86 155.07 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.487 ' O ' ' CG1' ' A' ' 123' ' ' VAL . 8.5 p -125.37 98.55 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.8 p -151.46 169.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 126' ' ' ASN . 8.2 mtt85 54.67 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 125' ' ' ARG . 74.8 m-80 -39.37 144.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -76.71 -16.27 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.33 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -41.17 -55.47 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -84.22 86.27 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 132' ' ' GLY . 0.9 OUTLIER 174.63 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.413 ' N ' ' CG2' ' A' ' 131' ' ' THR . . . -53.66 -34.31 50.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -51.08 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.503 ' CG2' HG12 ' A' ' 130' ' ' ILE . 25.2 p -45.88 -53.74 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.7 -52.33 21.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.218 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -44.48 -47.98 8.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.2 ttt -58.2 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.67 64.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -70.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 142' ' ' GLY . 8.1 p -97.43 147.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.38 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -67.43 116.26 7.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.526 ' HD1' ' NH2' ' A' ' 89' ' ' ARG . 11.5 t-160 -46.39 -54.71 8.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.632 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -147.08 163.26 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.89 119.27 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.7 pt -141.84 164.91 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -77.34 169.55 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.51 152.49 34.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.57 -44.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 74.05 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -49.59 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 20.0 m -94.67 -43.52 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.97 -86.06 0.37 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.02 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.8 50.83 0.86 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.9 p -88.93 -8.08 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.34 -22.69 12.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.24 -65.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 4.1 pp -56.46 -26.51 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -68.58 -29.29 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -85.0 0.34 51.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.418 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 30.9 m80 -108.98 14.73 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.539 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.61 -43.51 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.375 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -63.07 -30.17 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -72.54 -43.2 63.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.36 79.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 61.3 mtp -40.83 121.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -89.56 146.68 19.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.471 HG22 ' CD2' ' A' ' 4' ' ' LEU . 6.0 mt -75.06 104.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -167.9 147.16 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.647 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -179.73 -58.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.82 129.77 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.015 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 pp -88.92 154.11 20.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 mt 66.18 128.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -142.43 136.96 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -115.39 154.86 28.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.21 162.95 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 0.732 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' CE ' ' O ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -127.01 116.82 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 11' ' ' VAL . 51.5 t -100.9 139.83 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 87' ' ' ALA . 2.4 p -97.25 123.78 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CD1' ' OE2' ' A' ' 48' ' ' GLU . 79.7 mt -101.99 91.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.44 162.9 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.29 -99.68 0.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.37 156.66 1.21 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 0.717 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.538 1.809 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.79 78.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.28 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.5 53.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.55 -54.34 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.0 p -76.02 -14.41 60.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -50.67 11.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 24' ' ' LEU . 22.6 mt -53.69 -38.22 64.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.4 mp -39.78 -70.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -70.47 61.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -165.93 -46.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mt -94.82 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.22 -61.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.63 35.57 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.503 ' NH1' ' HE2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -83.46 -23.2 32.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.02 -62.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.22 78.78 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.99 -175.91 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 1.051 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -136.65 132.06 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.93 106.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.7 p -86.13 109.91 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.434 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 87.16 4.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 tp -134.32 157.26 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -101.08 -48.64 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.63 93.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' ALA . 3.2 m -45.31 124.37 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -59.62 132.4 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.16 -29.16 60.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.363 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.575 ' HD2' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -82.79 -10.64 58.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 62' ' ' THR . 47.6 t 69.7 -58.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' VAL . 5.5 tp -37.65 98.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.6 -41.12 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' OE2' ' CD1' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -75.08 56.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.503 ' HE2' ' NH1' ' A' ' 30' ' ' ARG . 10.5 t60 41.72 -162.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.1 tp -176.19 67.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.06 144.95 52.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.552 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.71 85.95 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 -45.14 -49.62 11.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -37.57 -53.68 1.81 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.54 117.87 0.19 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.62 -48.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -101.1 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -126.17 145.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.444 ' CG2' ' HD2' ' A' ' 9' ' ' LYS . 6.7 mt -102.55 160.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.474 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 29.6 m-20 -111.43 113.69 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.466 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 95.8 m -96.53 56.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.05 -168.82 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.69 55.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.31 148.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -47.4 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -58.56 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.32 -56.59 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.1 t -40.81 -52.42 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.044 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.03 -50.74 53.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -47.42 -47.05 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.213 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 61' ' ' ASP . 9.7 p -72.66 -32.0 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.48 57.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.5 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.84 -10.32 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.56 24.42 9.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.1 mt 57.35 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.767 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -132.79 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.33 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -50.73 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -175.3 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -146.28 132.62 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -139.14 -69.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.93 118.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.82 94.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -177.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.03 141.63 45.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.467 ' CB ' HG13 ' A' ' 11' ' ' VAL . . . -44.2 135.56 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.03 15.78 21.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.469 ' NH2' ' CG ' ' A' ' 116' ' ' PRO . 1.0 OUTLIER -158.39 143.14 16.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 t -132.02 134.89 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.31 80.49 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.59 171.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.0 tpt -154.95 131.72 10.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.08 114.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -42.22 135.29 2.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.08 -23.75 2.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.2 p -73.7 -134.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.5 p -86.01 -154.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.6 p -117.54 -120.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.13 -179.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.64 -26.24 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.222 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 t -91.98 1.33 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.499 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -71.51 -52.84 8.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.05 -8.27 19.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.542 1.811 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.87 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.32 19.4 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -105.45 -28.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.479 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -65.78 -55.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 107.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.08 63.72 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.17 -61.65 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.411 ' HB3' ' CG2' ' A' ' 140' ' ' VAL . 53.1 p90 -86.78 38.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.6 pt -129.21 39.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.1 148.69 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -68.51 79.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.06 138.48 0.7 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.469 ' CG ' ' NH2' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.06 149.8 36.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -130.05 119.41 23.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.519 ' HZ3' ' CD2' ' A' ' 159' ' ' LEU . 0.0 OUTLIER -107.94 143.33 36.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.362 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.42 135.6 27.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 158.07 42.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 122' ' ' THR . 85.6 mt -120.58 166.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.463 ' N ' ' CG2' ' A' ' 121' ' ' ILE . 98.2 m -69.74 142.11 53.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.436 ' O ' ' HB ' ' A' ' 124' ' ' VAL . 8.9 p -55.22 -16.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' A' ' 123' ' ' VAL . 1.9 t 68.4 134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 124' ' ' VAL . 3.0 ttp85 166.77 -29.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -132.64 151.92 51.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER 76.39 56.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' LYS . . . 38.4 33.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 127' ' ' LYS . 19.2 m-20 69.5 130.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLY . 2.9 tp -54.21 -18.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 130' ' ' ILE . 1.3 m -35.72 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -67.13 -58.34 8.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -60.34 -62.66 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 135' ' ' LEU . 14.7 t -38.4 -51.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 134' ' ' THR . 9.0 mt -48.79 -49.66 37.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' GLU . . . -83.07 51.41 4.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.2 ttm -157.68 47.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.4 m -103.71 61.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -52.88 5.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 111' ' ' PHE . 4.4 p -108.92 142.61 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -44.38 100.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -38.01 -57.34 1.68 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.403 ' ND1' ' HB2' ' A' ' 116' ' ' PRO . 6.5 t-80 75.26 -58.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.578 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.14 133.83 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.45 ' HB3' ' CD1' ' A' ' 121' ' ' ILE . 30.7 mt -132.97 90.78 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.38 124.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.07 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.5 mt -150.48 163.74 37.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 150' ' ' ALA . 89.7 p -136.14 -45.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 149' ' ' SER . . . 83.77 -58.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -43.22 -54.72 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 75.6 p -127.62 26.78 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.431 ' CA ' HG11 ' A' ' 156' ' ' VAL . . . 39.71 85.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' ' 149' ' ' SER . 18.7 tp10 -48.47 -52.7 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 0.735 . . . . 0.0 110.227 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -148.58 47.91 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.431 HG11 ' CA ' ' A' ' 153' ' ' GLY . 34.5 m -54.7 -44.21 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -55.15 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 53.5 t -41.76 -40.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.519 ' CD2' ' HZ3' ' A' ' 118' ' ' LYS . 46.1 mt -68.31 -50.26 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -51.49 -45.09 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.18 -56.29 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -58.14 -25.47 61.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.577 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.72 43.44 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.47 -48.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -55.03 -46.16 75.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 167' ' ' MET . 89.9 p -59.42 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.401 ' N ' ' OG ' ' A' ' 166' ' ' SER . 10.0 mmt 48.74 -174.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.1 108.03 0.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.09 120.59 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.47 157.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -93.7 -55.28 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.59 -59.91 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 0.0 110.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.58 93.54 4.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -133.88 -75.04 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER 82.0 144.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.33 -174.84 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.61 169.96 12.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.503 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER 179.46 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' N ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER 75.65 106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.471 HG13 ' CD2' ' A' ' 163' ' ' LEU . 78.6 t -103.0 144.58 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.78 126.03 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 pt -99.56 94.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.9 124.65 42.42 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.511 ' H ' ' HZ3' ' A' ' 20' ' ' LYS . . . -174.92 156.29 22.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 154.89 83.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.06 145.83 31.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.3 t30 81.81 29.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -117.12 -40.92 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.8 -93.78 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.405 1.066 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.511 ' HZ3' ' H ' ' A' ' 14' ' ' GLY . 11.9 mtpp 52.13 -94.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.3 m -39.33 -58.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -53.11 -44.02 67.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.68 -65.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.1 tm? -42.61 -52.1 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -43.22 -49.39 6.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.52 -53.54 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -48.9 -66.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.18 -57.35 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.65 47.22 6.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' NH1' ' HD1' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -92.55 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -40.63 -54.97 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -114.66 -68.71 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 32' ' ' ALA . . . 77.7 110.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.2 mt -78.95 147.34 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.61 128.18 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -124.78 136.73 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -128.98 81.46 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.47 135.52 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.36 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.05 63.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.58 124.77 1.61 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -75.25 -7.45 53.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m 59.96 116.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.81 -41.37 95.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -77.48 -1.93 32.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' LEU . 2.7 t 65.69 -71.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -39.34 118.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -150.93 30.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -137.64 56.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' HD1' ' NH1' ' A' ' 30' ' ' ARG . 43.5 m-70 54.24 171.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.15 96.8 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.764 ' HE2' ' NE ' ' A' ' 160' ' ' ARG . 52.5 t-80 -54.14 107.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -159.24 124.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -104.1 -30.79 10.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.41 -69.08 0.7 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.85 164.03 35.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.29 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.07 102.19 11.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.51 92.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.41 146.24 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' ASP . 1.9 pt -134.44 -49.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' ILE . 12.4 m-20 60.77 123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 62' ' ' THR . 2.7 t -84.02 110.65 18.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.36 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.66 -134.41 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -64.28 -170.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 0.805 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -41.16 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 1.5 tp10 -87.98 175.89 7.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.484 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . 81.15 -55.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -54.39 -48.66 71.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -51.01 69.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -59.23 -36.29 75.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 40.8 t -56.07 -37.0 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.66 -35.39 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.57 -69.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -44.83 -38.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.44 -172.64 38.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 77' ' ' ILE . 32.0 mt -112.27 50.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.54 141.32 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -43.96 157.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.02 61.64 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 66.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -154.47 138.51 16.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -48.13 174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.2 tt -155.16 -49.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 63.24 136.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 87' ' ' ALA . 5.9 pm0 -171.97 -157.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 86' ' ' GLN . . . 50.45 75.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.05 -35.29 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.438 ' CG ' ' HB2' ' A' ' 166' ' ' SER . 1.5 mmp_? -141.64 151.27 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.403 ' CG2' HD11 ' A' ' 115' ' ' LEU . 60.3 t -140.84 112.55 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.85 92.83 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' OE2' ' A' ' 106' ' ' GLU . 6.4 t80 -68.92 133.68 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 86.0 mmm -96.2 93.52 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' ASP . 61.1 t -67.66 -41.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 94' ' ' VAL . 1.6 t70 60.97 121.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.25 -162.68 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.8 t -111.19 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 m -79.67 151.18 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -128.34 143.98 51.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.427 ' O ' ' CD ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -161.1 -172.75 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.99 26.7 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' ' CD ' ' A' ' 106' ' ' GLU . 30.4 m -115.05 -30.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.625 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.39 -45.63 5.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -71.06 64.02 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 7.4 pt-20 166.43 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.18 -13.0 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.586 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -67.72 -62.33 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.14 54.39 3.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -132.54 -55.7 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -87.2 40.66 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.8 pt -118.37 9.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.15 178.63 6.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.89 61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.403 HD11 ' CG2' ' A' ' 90' ' ' VAL . 2.1 pp -142.12 141.79 22.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 163.84 34.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.22 138.99 28.43 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.62 137.78 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.34 133.46 24.57 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.42 42.8 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.766 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.3 mt -104.37 142.01 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.1 m -94.67 110.05 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 123' ' ' VAL . 7.1 p -125.68 67.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.52 118.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 60.28 146.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 63.73 167.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.72 -48.73 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.92 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.28 -51.99 55.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.1 mm -44.1 -79.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.0 p -39.28 -44.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -50.68 -63.33 4.54 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -50.63 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 m -39.18 -64.24 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.3 mt -96.79 27.77 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.35 13.75 11.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -149.63 40.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.6 t -71.29 59.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -90.52 120.5 31.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 81.5 t 63.11 122.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -52.84 97.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -73.13 128.95 12.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.16 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.424 ' HD1' ' NH1' ' A' ' 89' ' ' ARG . 5.2 t-160 -41.85 -33.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 0.775 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 175.4 177.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.6 mp -142.78 125.27 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.83 121.7 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 156.36 21.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -169.41 -169.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 153' ' ' GLY . 31.4 t -157.29 99.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.04 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -43.25 -34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -61.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.4 t -108.22 15.28 24.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 42.58 55.28 4.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.6 -96.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.57 85.82 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 76.2 t -107.38 -56.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.412 0.713 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.5 -50.95 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 37.6 t -49.41 -54.27 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -48.73 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.764 ' NE ' ' HE2' ' A' ' 51' ' ' HIS . 62.4 ttt180 -48.12 -46.76 34.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -58.29 -40.54 82.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -18.73 65.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 10' ' ' VAL . 11.4 mt -89.98 -36.15 15.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -99.72 45.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -138.87 -48.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.438 ' HB2' ' CG ' ' A' ' 89' ' ' ARG . 41.6 m -87.43 10.68 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -70.73 176.07 4.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -125.69 140.04 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.92 168.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.66 176.5 0.28 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.155 . . . . 0.0 109.576 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.83 -174.43 4.7 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.132 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -99.93 95.96 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.66 77.34 9.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mm? 61.79 163.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.215 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -140.35 179.5 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -150.65 171.61 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' HA2' ' CG ' ' A' ' 167' ' ' MET . . . 149.44 146.92 4.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.49 -176.68 5.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 0.815 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.821 ' HZ3' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -123.44 121.17 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -121.98 127.76 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p -97.99 147.07 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.72 86.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.05 125.21 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.5 93.71 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.18 118.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.95 127.84 11.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.1 t30 81.05 87.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' O ' ' SD ' ' A' ' 93' ' ' MET . . . -169.11 31.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.88 31.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 -29.64 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.86 -52.35 30.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.995 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -46.0 -26.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -72.86 -44.17 61.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.0 mp -50.4 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -59.36 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.18 -47.77 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.42 54.55 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -172.19 113.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.4 58.38 2.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -120.14 124.49 45.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -62.39 102.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 61.82 82.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.09 149.75 46.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 pt -85.11 128.9 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.25 141.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -119.26 158.82 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -145.95 86.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 tp -116.99 150.18 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 0.0 109.382 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.9 -42.4 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.94 101.68 0.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.409 1.068 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -39.34 158.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.4 p -100.63 128.04 46.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -59.42 -36.77 76.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' LEU . 2.8 p30 -75.2 -11.58 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 46' ' ' LEU . 65.8 t 69.29 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 45' ' ' VAL . 35.5 tp -34.97 100.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.0 ttm-85 -131.89 11.12 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 1.5 pp20? -131.79 39.49 3.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.437 ' HD1' ' N ' ' A' ' 50' ' ' ILE . 28.0 p80 40.06 -159.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.437 ' N ' ' HD1' ' A' ' 49' ' ' HIS . 8.1 mm -146.55 147.53 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -107.08 123.63 48.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.8 mt -144.87 122.66 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.173 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.09 -59.55 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.23 147.62 60.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -64.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.33 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -105.59 140.31 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.59 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.3 mt -146.71 67.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.8 mt -135.61 139.74 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.02 120.51 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 62' ' ' THR . 8.4 t -78.85 84.64 4.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.76 -157.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 -61.94 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ALA . 4.1 tp -98.61 149.03 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -40.71 -45.39 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.58 -44.99 89.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . -61.49 -54.63 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.4 ' CB ' HD11 ' A' ' 84' ' ' ILE . 0.5 OUTLIER -47.51 -42.71 23.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -64.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -44.86 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 t -46.34 -77.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HB2' ' CG ' ' A' ' 78' ' ' GLU . 13.8 pt-20 -50.85 -40.05 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -54.83 29.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 pt -66.72 -20.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -3.71 87.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.6 mt 68.59 70.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' CG ' ' HB2' ' A' ' 73' ' ' GLU . 2.8 pt-20 -170.07 144.23 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.13 159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.64 -18.61 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -42.01 79.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 107.968 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -45.07 154.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -111.96 169.61 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.4 HD11 ' CB ' ' A' ' 69' ' ' SER . 3.2 mp -132.01 123.39 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.78 161.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.91 151.44 19.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.821 ' HA ' ' HZ3' ' A' ' 9' ' ' LYS . . . -41.32 143.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -93.59 -43.29 8.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 116' ' ' PRO . 2.0 ptp180 -168.74 158.34 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 53.9 t -115.99 158.29 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.81 52.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.606 ' CD2' ' O ' ' A' ' 92' ' ' PHE . 37.9 p90 -61.38 108.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -77.67 166.87 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.2 m -133.37 -176.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.406 ' O ' ' CB ' ' A' ' 98' ' ' THR . 13.8 t0 -119.93 84.39 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.197 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 122' ' ' THR . . . 43.46 -150.83 0.51 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.464 HG23 ' CD1' ' A' ' 130' ' ' ILE . 60.5 p -75.05 59.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 110.372 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 96.4 m -111.56 104.43 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.2 t -97.23 141.18 30.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -161.2 172.47 16.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -13.89 56.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.4 m -92.46 -0.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.5 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -74.6 -52.93 3.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -75.0 -33.9 4.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . -39.96 -32.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 104' ' ' PRO . 20.3 mm-40 -117.03 53.06 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -152.36 -46.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -42.86 -56.93 5.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.1 Cg_endo -75.03 57.09 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -160.55 -46.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 1.3 t80 -48.69 -39.07 23.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.504 ' O ' ' CB ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -97.09 99.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 112' ' ' ILE . . . 163.19 155.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.83 50.77 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -126.27 118.52 23.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.421 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 114.17 3.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.07 153.17 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -77.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.564 ' CD2' ' CE2' ' A' ' 92' ' ' PHE . 2.2 tm? 67.11 94.91 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 165.99 30.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.4 pp -120.96 148.5 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.472 ' CG2' ' HA2' ' A' ' 96' ' ' GLY . 8.7 t -101.63 161.64 13.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.405 ' N ' ' HG1' ' A' ' 122' ' ' THR . 7.7 p -168.62 72.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 125' ' ' ARG . 12.9 p -174.39 166.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 124' ' ' VAL . 1.9 tmt_? 82.48 -51.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.2 OUTLIER -122.0 -47.29 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 126' ' ' ASN . 10.4 mttp 68.06 -67.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -50.73 -58.19 6.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -42.28 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.464 ' CD1' HG23 ' A' ' 97' ' ' THR . 25.8 mm -45.9 -56.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.8 m -42.05 -47.2 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.04 -58.55 11.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -46.69 86.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -41.47 -60.92 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.6 mt -51.86 120.92 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 52.34 63.04 5.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.1 mmt -40.11 -43.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -175.08 -77.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -163.85 -167.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 70.2 153.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -96.7 81.0 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -51.73 137.97 30.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -58.77 -57.32 13.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 0.73 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -143.46 151.2 40.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.5 mt -110.81 89.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.3 mm -120.93 163.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 ptt180 -108.88 165.5 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 159' ' ' LEU . 2.0 mt -135.53 172.09 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.95 43.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 62.27 -99.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.484 ' O ' ' CG2' ' A' ' 152' ' ' THR . 0.1 OUTLIER -114.43 99.15 7.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 151' ' ' ARG . 1.8 p -159.81 -45.45 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 105.23 20.62 9.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.44 -68.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.25 -28.88 8.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 13.0 t -49.9 -25.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 5.4 m -77.96 -39.99 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.414 ' CD1' HD23 ' A' ' 148' ' ' LEU . 0.2 OUTLIER -42.87 -48.93 5.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.26 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -46.34 -60.96 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -58.31 -48.89 79.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -43.15 18.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 166' ' ' SER . 0.6 OUTLIER -72.79 -47.11 49.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 60.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 167' ' ' MET . 5.2 p -160.17 -41.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 166' ' ' SER . 0.0 OUTLIER -30.78 129.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -91.02 148.59 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 29.5 mm -46.54 150.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 27.3 t60 71.14 163.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -57.19 12.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p 56.31 166.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 77.61 -58.13 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt -69.28 146.36 52.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.11 145.96 46.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.76 168.7 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 107.46 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttp -132.41 146.54 52.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.812 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.631 ' HZ3' HD13 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -114.53 122.46 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG11 ' CD1' ' A' ' 12' ' ' ILE . 7.7 p -95.33 158.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.7 t -126.88 135.52 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' CD1' HG11 ' A' ' 10' ' ' VAL . 4.7 mp -137.46 97.65 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.21 162.66 31.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.53 99.28 0.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.474 1.108 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 61.49 157.34 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 0.789 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -99.43 104.57 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.09 -46.83 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.2 44.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -26.3 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.74 -55.48 5.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.113 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.8 m -61.94 -45.98 91.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.937 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' CD1' HD22 ' A' ' 148' ' ' LEU . 0.2 OUTLIER -49.82 -61.28 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' LEU . 17.3 tp -39.4 -43.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ALA . 27.4 m-20 -67.41 -49.7 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -39.45 -57.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.07 70.24 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.206 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 135.78 19.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.41 52.3 4.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.34 130.72 41.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.15 -58.8 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.75 99.87 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.58 163.49 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -151.65 144.72 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -108.05 163.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -150.24 146.19 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -76.87 -51.9 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 tp 40.3 81.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.53 -43.09 50.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 95.6 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 m -42.18 122.54 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 0.711 . . . . 0.0 110.421 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.32 142.59 43.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' CB ' ' HG2' ' A' ' 71' ' ' GLU . 3.7 mmt85 -69.26 -43.54 73.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.5 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -69.5 -10.4 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 45' ' ' VAL . 1.6 p 32.99 45.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.539 ' CG ' ' O ' ' A' ' 46' ' ' LEU . 1.3 tp -124.89 36.92 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.7 37.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.5 37.74 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.2 m80 47.44 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.631 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.442 ' CD1' HG21 ' A' ' 60' ' ' ILE . 3.9 tp -167.82 150.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -153.66 151.51 29.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.608 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 tt -157.33 108.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.78 -40.73 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.17 -90.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.82 129.46 25.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.38 4.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.566 1.824 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.95 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -118.56 148.21 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 2.9 tt -116.89 109.36 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -97.69 169.01 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -148.18 95.15 2.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -84.06 63.48 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.23 -171.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -171.91 -54.19 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -99.04 158.66 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.224 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -43.2 -52.66 5.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -53.03 -52.19 59.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.6 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 t -52.13 -40.04 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.031 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.84 25.38 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' HG2' ' CB ' ' A' ' 43' ' ' ARG . 45.3 tp10 -105.84 -54.35 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.417 HG21 ' CB ' ' A' ' 61' ' ' ASP . 4.0 m -56.35 -44.09 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.52 -36.52 23.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -57.53 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.6 mt -49.54 -44.33 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -148.33 0.29 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.2 45.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 0.728 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.78 178.44 5.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -82.1 134.99 35.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.34 62.75 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.412 ' CG ' ' N ' ' A' ' 82' ' ' GLN . 2.7 t-105 -114.14 -71.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.985 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 81' ' ' TRP . 0.0 OUTLIER -177.36 127.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.65 65.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.631 HD13 ' HZ3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -172.14 126.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' N ' HD12 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -74.26 -96.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -177.34 168.68 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.58 152.8 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.6 -52.87 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 118' ' ' LYS . 2.5 mmm180 -121.78 134.61 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.41 104.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 159' ' ' LEU . 4.2 mt -78.85 108.19 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.435 ' CE1' HG21 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -82.15 161.55 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.36 117.37 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -134.39 128.47 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.54 170.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.438 ' HA2' ' CB ' ' A' ' 122' ' ' THR . . . -42.02 -94.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.0 t -121.89 50.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 m -113.07 115.93 29.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -120.23 73.73 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 -171.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.89 179.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' ASP . 14.0 t 71.52 -58.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.5 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -39.14 -52.31 4.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -74.98 -38.65 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 59.57 3.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.9 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.435 HG21 ' CE1' ' A' ' 92' ' ' PHE . 1.1 pt -84.69 -22.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -50.81 -59.76 6.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.06 55.31 3.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.71 -48.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -43.53 -38.88 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.487 ' C ' ' CD1' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -93.52 90.25 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.441 ' CB ' HD12 ' A' ' 115' ' ' LEU . . . -167.33 162.21 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.417 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -107.92 52.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.441 HD12 ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -156.28 147.04 16.26 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.407 ' HB2' ' CG ' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.04 149.06 36.0 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -130.67 98.37 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.578 ' HZ3' HG13 ' A' ' 146' ' ' ILE . 0.0 OUTLIER -58.15 109.68 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.216 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.73 113.28 60.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 156.61 43.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.6 pt -134.0 173.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.438 ' CB ' ' HA2' ' A' ' 96' ' ' GLY . 96.4 m -139.66 112.38 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.6 m -106.7 39.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.02 172.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -71.1 91.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.38 -60.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.446 ' CA ' HG12 ' A' ' 130' ' ' ILE . 2.0 mttm 77.02 -57.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.64 -57.28 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.53 -63.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.446 HG12 ' CA ' ' A' ' 127' ' ' LYS . 29.1 pt -42.39 -30.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 m 46.97 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.435 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 47.14 23.17 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.405 1.066 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.477 ' O ' ' CG2' ' A' ' 134' ' ' THR . 0.7 OUTLIER 50.4 84.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.427 0.722 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 133' ' ' GLU . 10.2 t 46.9 42.86 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.22 92.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.21 -59.24 9.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.71 89.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -151.52 32.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -63.52 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 142' ' ' GLY . 11.6 p -66.92 139.74 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.597 1.186 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -67.32 73.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -40.81 156.34 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.507 ' O ' ' CB ' ' A' ' 144' ' ' ALA . 8.3 t-80 -93.49 61.6 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 143' ' ' HIS . . . 84.45 166.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.0 mt -134.81 120.54 19.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.578 HG13 ' HZ3' ' A' ' 118' ' ' LYS . 1.5 pp -131.54 135.52 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.413 ' H ' ' NE ' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -70.51 162.44 28.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 23' ' ' LEU . 12.9 tp -161.96 155.05 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.411 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 87.5 p -152.25 123.26 7.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.929 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -40.32 -66.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -69.03 134.95 50.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.058 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 70.2 p 43.39 61.97 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 156' ' ' VAL . . . -44.54 113.28 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -54.31 12.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -109.29 54.15 0.56 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.432 1.083 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.472 ' CG2' ' HA3' ' A' ' 153' ' ' GLY . 2.3 t -92.66 -44.76 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -52.45 40.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 81.6 t -48.67 -30.27 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.224 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 91' ' ' LEU . 0.3 OUTLIER -69.32 -55.59 10.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 159' ' ' LEU . 0.1 OUTLIER -38.15 -46.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.613 1.196 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -83.39 76.99 9.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.63 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.21 -16.69 59.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -87.51 -55.01 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.0 -39.99 9.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 86.4 p -95.07 59.18 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -114.49 172.22 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -100.16 120.25 6.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.429 1.08 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.74 103.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 178.34 178.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.555 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -60.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 18.7 t0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 4' ' ' LEU . 13.9 m -142.0 -57.27 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.756 . . . . 0.0 110.048 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 69.16 -66.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 2' ' ' SER . 15.2 mt -136.04 125.8 25.59 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 mmt-85 -111.75 -56.23 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 70.94 124.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 87.25 0.14 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -146.94 -173.62 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.627 ' HZ3' ' HG1' ' A' ' 62' ' ' THR . 0.0 OUTLIER -169.06 -169.43 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.41 HG11 ' CD1' ' A' ' 163' ' ' LEU . 24.4 m -123.76 -166.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -150.4 81.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.92 133.83 28.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.78 138.77 20.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.65 177.75 38.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -37.94 130.05 0.95 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.98 81.73 2.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.0 m-20 160.97 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.38 84.68 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' SER . . . 62.04 -100.37 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.71 -78.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -68.42 -53.63 22.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -53.42 -43.09 67.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.429 ' HA ' ' CB ' ' A' ' 150' ' ' ALA . 5.8 tp -59.16 -67.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tp -40.85 -55.3 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -40.71 -64.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.13 -55.33 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -69.26 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 -51.86 6.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.28 -115.48 5.23 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 59.46 155.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.03 -55.46 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.59 116.29 21.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.38 139.78 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 tt -124.15 157.76 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.95 139.14 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -132.09 161.94 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' ILE . 5.1 t0 -117.72 -57.3 2.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 37' ' ' ASP . 5.2 pt 37.55 86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.62 73.77 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.9 25.19 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m 38.55 78.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 45' ' ' VAL . 15.3 t -46.03 125.69 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.465 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -55.59 -42.05 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -66.79 -10.32 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 42' ' ' THR . 8.5 p 43.72 29.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 61' ' ' ASP . 14.4 tp -110.97 75.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.6 ttp85 -105.64 -7.44 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -91.32 25.35 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 47.08 -172.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 tp -166.12 105.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.621 ' HE1' HH21 ' A' ' 160' ' ' ARG . 0.1 OUTLIER -93.75 150.68 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.597 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.0 120.41 49.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -85.28 -53.22 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.062 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.13 133.01 24.35 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.501 0.766 . . . . 0.0 111.036 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.2 45.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 162.78 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.52 -89.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.2 mt 71.55 124.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 10.0 m-20 -122.51 155.91 35.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.627 ' HG1' ' HZ3' ' A' ' 9' ' ' LYS . 17.0 m -65.01 -43.07 93.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' O ' ' CG1' ' A' ' 45' ' ' VAL . . . 68.59 -71.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' THR . . . 72.72 -99.46 0.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 175.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -49.01 12.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 110.339 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.52 -44.74 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.83 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -47.38 -58.95 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.33 -38.54 3.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.01 -41.12 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.9 t -49.41 -50.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.52 -45.7 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -51.74 -56.11 15.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.6 mt -60.12 -32.85 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.41 -7.78 87.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.2 mt 49.12 74.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.355 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -162.69 167.2 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -41.18 111.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.42 55.87 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.52 -70.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.06 123.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.88 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.2 tp -161.58 135.66 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.29 141.64 49.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -158.27 -173.54 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 65.5 96.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -139.47 -47.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.645 ' NH1' ' CE1' ' A' ' 143' ' ' HIS . 12.3 tpp180 -133.39 104.86 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.434 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 21.3 t -92.44 106.32 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' HB2' ' CD ' ' A' ' 118' ' ' LYS . 1.4 pp -106.38 107.41 18.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CD1' HG21 ' A' ' 107' ' ' ILE . 78.9 m-85 -77.77 -172.04 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -150.27 137.11 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.87 108.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.99 109.43 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 52.17 -175.94 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.3 p -71.48 58.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.2 m -92.75 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 t -106.57 130.3 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -151.97 -168.53 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.8 11.81 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.07 -23.07 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.579 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.98 -48.29 2.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.93 -9.13 20.72 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.562 1.822 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.84 53.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.404 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 7.8 tp10 -171.95 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.245 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.565 HG21 ' CD1' ' A' ' 92' ' ' PHE . 4.9 pt -82.49 -33.87 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.519 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.1 OUTLIER -56.78 -59.38 12.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -74.94 56.78 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.28 -49.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CD1' ' CG2' ' A' ' 140' ' ' VAL . 0.9 OUTLIER -38.29 -38.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.1 tp -81.33 77.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.58 143.31 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 71.65 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 pp -175.08 137.22 0.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.41 40.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.0 138.73 45.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.409 ' CD ' ' HB2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -102.8 159.73 15.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.412 ' CD1' ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -130.67 130.43 22.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.412 ' HD2' ' CD1' ' A' ' 119' ' ' LEU . 18.6 Cg_endo -74.92 163.62 35.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.465 HD12 ' CB ' ' A' ' 145' ' ' LEU . 23.6 mt -122.35 159.36 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.402 ' N ' ' CG2' ' A' ' 121' ' ' ILE . 0.7 OUTLIER -123.67 140.37 53.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.7 p -146.53 54.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 124' ' ' VAL . 12.3 m -79.56 85.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER 66.35 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' ARG . 24.9 m-80 -40.05 155.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -133.01 -58.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.43 -25.2 66.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.225 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -67.49 -66.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.535 ' CD1' ' N ' ' A' ' 131' ' ' THR . 2.5 pp -53.85 -47.84 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.535 ' N ' ' CD1' ' A' ' 130' ' ' ILE . 1.0 OUTLIER -39.48 -41.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -41.82 -84.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -49.87 75.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.262 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 136' ' ' GLY . 50.3 m -40.48 -31.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -49.34 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' SER . . . 34.52 71.91 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 136' ' ' GLY . 4.1 ttt -31.95 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.413 0.713 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -65.31 116.57 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -178.05 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.515 ' CG2' ' CD1' ' A' ' 111' ' ' PHE . 13.4 p -156.74 148.09 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.09 113.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -92.43 143.68 16.66 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.645 ' CE1' ' NH1' ' A' ' 89' ' ' ARG . 9.4 t-160 -61.95 -42.12 98.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.55 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . 175.0 137.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.465 ' CB ' HD12 ' A' ' 121' ' ' ILE . 2.7 mt -91.97 115.58 28.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 121' ' ' ILE . 4.5 mm -125.79 144.26 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.17 155.65 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 149' ' ' SER . 3.6 pp -175.06 -170.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 151' ' ' ARG . 18.9 p -176.44 88.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 23' ' ' LEU . . . -40.31 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -168.77 -50.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.3 m -167.58 109.55 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 70.54 -104.42 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 60.67 -174.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -77.15 54.67 3.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 50.4 t -99.27 -41.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.224 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.02 -45.77 87.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 80.5 t -58.79 -31.42 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -46.73 61.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.621 HH21 ' HE1' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -43.42 -49.38 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.23 -49.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -61.65 -34.02 74.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.41 ' CD1' HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -66.17 -28.39 68.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -71.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -37.84 -36.79 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.0 t -68.1 -57.76 5.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.03 110.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -90.75 146.04 18.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.3 pt -54.51 136.71 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 0.805 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 174.96 143.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 109.586 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -121.71 121.7 37.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 p -131.4 114.25 14.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 pp -125.76 24.82 7.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt -119.01 161.55 20.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -128.09 153.09 47.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.54 154.94 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.74 95.34 0.1 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -179.66 131.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' CG ' HG12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -87.26 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.381 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -170.43 104.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' ' CG2' ' A' ' 12' ' ' ILE . 11.6 p -59.9 145.77 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 11' ' ' VAL . 1.3 pp -152.68 90.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.79 169.31 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.84 175.48 23.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -42.57 118.92 2.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 62.7 5.97 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -177.61 57.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.31 35.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.56 33.54 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -54.17 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.75 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -77.86 -38.21 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.99 -48.38 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.9 tp -60.9 -53.82 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -50.7 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -51.09 -48.91 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -84.97 59.74 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.58 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.8 -69.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.4 -56.89 0.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -40.74 105.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 0.743 . . . . 0.0 110.188 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -58.94 140.7 55.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.07 59.53 2.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.39 -178.25 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tt -123.86 128.86 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 m -90.84 114.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -88.05 145.43 25.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 110.425 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -145.66 84.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pt -125.45 175.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -110.83 -55.78 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.76 95.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' ALA . 16.0 p -49.34 157.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 0.719 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.3 p -106.03 130.68 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.409 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -58.24 -33.67 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.16 -15.4 57.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p 43.92 29.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -107.52 57.19 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -96.64 24.76 5.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.08 12.45 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 57.34 -178.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.8 tt -120.01 146.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 0.3 OUTLIER -118.16 96.85 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -122.7 118.03 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' N ' HD11 ' A' ' 52' ' ' ILE . 3.7 t0 -88.07 -41.91 12.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 55' ' ' MET . 2.3 mpt? -127.5 145.12 53.39 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 0.74 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.54 91.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -170.96 126.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.98 108.83 22.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.443 HG12 ' CG ' ' A' ' 9' ' ' LYS . 1.1 tt -101.6 -178.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.15 109.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.459 ' O ' ' CG2' ' A' ' 62' ' ' THR . 12.0 t -83.04 72.54 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -52.63 -87.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.3 -48.87 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.7 140.29 38.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -41.01 -57.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.43 1.081 . . . . 0.0 110.367 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.66 -49.86 56.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.98 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -44.83 -41.22 6.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -72.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.34 -30.32 3.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.428 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 0.9 OUTLIER -57.81 -50.86 76.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -69.36 -18.22 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 pt -75.65 -14.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -105.97 14.47 44.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.446 ' CG2' ' O ' ' A' ' 77' ' ' ILE . 14.9 mt 44.68 48.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.76 177.81 5.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 21.1 mtm105 -98.71 152.22 19.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -72.67 102.5 3.33 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -149.16 -45.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER 81.16 94.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 85' ' ' GLU . 2.5 tp -87.71 -39.59 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 9.1 tt0 84.93 149.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 178.31 7.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.92 176.16 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -151.25 32.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.02 143.56 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.1 t -135.41 127.38 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -114.22 87.49 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 110' ' ' GLU . 1.0 OUTLIER -73.56 147.85 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.4 tpt -125.41 132.01 52.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.7 t -148.32 131.74 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -48.59 -52.65 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.394 1.059 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.59 -82.87 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -94.63 32.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.455 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -115.67 91.57 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.3 p -101.36 79.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.31 174.34 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.11 -0.12 56.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.395 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.7 t -103.98 -17.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.56 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -62.86 -48.89 84.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.97 -19.25 18.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.55 -17.08 63.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.8 35.02 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -120.74 -41.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.587 ' C ' ' CD1' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -50.54 -55.97 22.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.01 56.3 4.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.401 1.737 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 tp10 -149.56 -62.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.66 -19.65 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.481 ' CG2' ' O ' ' A' ' 112' ' ' ILE . 3.7 mt -87.66 74.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.414 ' CB ' ' CD2' ' A' ' 115' ' ' LEU . . . -176.43 -179.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -99.06 -37.32 9.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.414 ' CD2' ' CB ' ' A' ' 113' ' ' ALA . 1.7 pt? -58.41 144.65 77.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 177.72 8.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -143.35 133.3 24.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -100.54 -176.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.75 137.03 1.17 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.69 3.01 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 75.2 mt -119.61 163.85 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 122' ' ' THR . 13.2 t -116.7 59.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.4 p -69.5 65.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.216 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 122' ' ' THR . 3.9 p -107.18 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -48.93 156.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.7 114.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -14.43 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.59 -47.1 82.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.01 79.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -40.38 -83.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.0 t -43.74 -46.72 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.51 58.64 2.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.4 -52.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 110.226 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.1 m -59.4 -33.19 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.08 -36.57 13.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.28 -71.44 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.83 91.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.5 p -132.44 41.44 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.25 -65.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.9 p -80.71 138.21 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.37 94.43 0.4 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -43.63 -34.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.626 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -167.59 -172.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.8 96.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.0 pt -108.52 151.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -101.13 140.34 35.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' A' ' 148' ' ' LEU . 0.0 OUTLIER -158.36 -178.5 7.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.2 t -152.32 30.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 152' ' ' THR . . . 43.74 -147.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 66.55 -70.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 150' ' ' ALA . 9.5 t -175.12 138.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.422 ' CA ' HG23 ' A' ' 156' ' ' VAL . . . 61.49 -145.6 48.69 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 75.28 -69.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 0.795 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -157.8 45.69 0.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.422 HG23 ' CA ' ' A' ' 153' ' ' GLY . 17.1 m -106.84 9.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -107.34 -62.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.76 -38.23 43.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.07 -47.33 85.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -65.18 -27.78 68.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -71.9 -13.74 61.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -115.06 12.4 16.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.476 HD11 ' CE1' ' A' ' 51' ' ' HIS . 0.4 OUTLIER -100.13 -46.22 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -56.36 8.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -40.97 -33.17 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 50.9 m -42.07 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.413 ' CB ' ' HG3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -144.03 160.99 39.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 169' ' ' ILE . . . -143.88 -84.74 0.07 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 12.0 pt -37.31 151.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER 85.83 137.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -39.99 59.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.7 -57.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.987 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 1.8 mm? 57.6 91.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.43 161.36 40.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 145.43 41.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -150.29 174.62 12.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.61 -177.99 29.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.528 ' HB3' ' CB ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -152.76 -166.47 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.073 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' CE ' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -141.71 87.97 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -88.9 156.54 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -155.67 130.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 mt -91.07 129.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.55 ' HB3' ' CD1' ' A' ' 92' ' ' PHE . . . -114.58 172.14 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 109.373 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.78 171.25 14.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -70.99 150.27 94.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 110.267 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 72.74 4.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 18' ' ' ALA . 12.9 t-20 173.5 -34.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . -38.71 -66.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.359 1.037 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.84 41.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -85.6 159.75 19.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.24 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t 79.16 -55.3 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -16.33 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.42 -56.86 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.71 -27.44 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.94 -49.82 65.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.08 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.1 65.23 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.46 160.48 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.43 -48.62 6.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -43.32 122.5 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.794 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.22 -56.6 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.18 -73.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 69.7 148.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.38 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.47 145.53 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.44 120.18 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.15 93.81 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.44 94.63 9.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.79 130.04 69.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.72 -28.05 40.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.44 91.98 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -38.83 133.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 t -89.11 149.23 23.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.427 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -41.36 19.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 46' ' ' LEU . 3.7 p30 -65.71 -11.98 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 47' ' ' ARG . 95.3 t 67.68 -63.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -38.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.6 ptt85 -129.24 7.04 5.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.09 35.47 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' O ' ' CG1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER 40.74 -159.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 49' ' ' HIS . 12.4 mt -156.7 126.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 3.8 p80 -83.24 101.26 11.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 0.0 109.594 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 tp -91.3 107.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.65 114.93 29.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 -44.05 1.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.6 ttt -154.43 112.96 2.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.69 4.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.12 55.64 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.507 ' CD2' HG13 ' A' ' 60' ' ' ILE . 59.3 t60 -143.96 151.01 39.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.3 130.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.507 HG13 ' CD2' ' A' ' 58' ' ' HIS . 7.2 mt -129.07 145.74 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.78 151.2 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.411 ' HB ' ' N ' ' A' ' 46' ' ' LEU . 44.5 m -102.85 -50.98 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 45.63 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.7 -41.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.7 -176.69 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -56.07 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.03 -56.86 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.55 -53.72 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.09 -39.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.87 -45.54 20.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -55.31 -52.08 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.409 ' CG1' ' HA ' ' A' ' 44' ' ' ASP . 25.7 m -59.5 -33.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -12.15 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.18 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -49.19 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 pp -59.03 -33.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.22 106.02 3.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.155 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mm -44.63 99.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -170.19 -179.75 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.42 154.31 38.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.15 -66.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -75.28 68.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -112.32 158.79 19.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.4 142.95 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 84' ' ' ILE . 2.9 tp -149.54 116.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' HB2' ' CE ' ' A' ' 9' ' ' LYS . 8.9 mm-40 -55.6 179.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.9 -179.72 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.56 136.28 38.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 166' ' ' SER . 64.9 t0 -117.43 -64.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -105.64 103.91 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 t -95.82 100.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 mt -83.74 134.82 34.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -106.43 159.02 16.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 tpt -137.81 133.91 34.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.9 t -137.98 127.13 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.4 t70 -70.78 116.65 11.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.44 ' HA2' ' CG2' ' A' ' 122' ' ' THR . . . 37.62 -156.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 97' ' ' THR . 1.3 m -97.63 64.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.622 0.837 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.3 m -132.76 123.11 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 t -104.3 141.5 36.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -168.33 171.66 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' C ' ' CG2' ' A' ' 102' ' ' VAL . . . -48.78 166.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' ' C ' ' A' ' 101' ' ' ALA . 2.4 t 82.03 -54.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -46.66 -50.32 42.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.0 -31.77 5.93 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.388 1.731 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.67 59.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.387 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -114.6 59.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.553 HD11 ' CZ ' ' A' ' 92' ' ' PHE . 8.5 mm -143.24 -49.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.464 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.45 -56.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 108.064 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -75.03 55.02 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.49 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -159.67 -58.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -40.94 -49.56 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 30.6 pt -60.81 -178.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 70.67 163.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -91.05 3.21 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.61 126.82 79.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 165.81 30.4 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.8 104.26 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 167.24 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.46 117.34 9.5 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 143.05 28.39 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 147' ' ' ARG . 45.9 mt -114.31 147.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 130' ' ' ILE . 0.5 OUTLIER -107.02 134.8 49.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 13.5 m -127.66 72.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.2 133.53 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.2 115.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.65 141.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -116.32 -5.7 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' THR . . . -90.56 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -43.78 -30.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 122' ' ' THR . 0.4 OUTLIER -78.93 -46.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 130' ' ' ILE . 2.8 m -55.94 -58.79 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.26 58.81 1.12 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 179.59 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 9.5 t -66.69 -50.97 61.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.7 mt -47.27 -56.52 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -94.65 50.02 2.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -39.06 -52.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 111.017 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.16 -68.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -179.21 -61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.45 123.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.99 65.95 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -37.74 141.02 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -42.01 -58.45 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -142.82 -179.8 6.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.5 mp -146.02 100.57 3.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 20.7 mm -109.05 134.92 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -80.89 133.82 35.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.1 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 149' ' ' SER . 9.9 t -158.01 32.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 151' ' ' ARG . . . 59.54 -141.66 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 150' ' ' ALA . 7.9 mtt180 -38.0 -60.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 18.8 m -72.67 57.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.49 111.89 1.03 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.79 25.02 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 169.76 48.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.83 -30.84 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.14 -50.6 46.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.23 -29.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 4.4 tt -77.25 -45.31 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.32 -18.05 65.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.93 -17.69 59.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -105.2 14.77 28.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.79 -36.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.78 39.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -62.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.495 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 2.0 m -56.68 -19.94 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.042 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.528 ' CB ' ' HB3' ' A' ' 8' ' ' MET . 15.5 ptt? -48.99 138.04 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 152.15 50.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mt -92.65 97.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -175.75 162.31 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.624 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -102.27 138.35 39.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.362 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -56.31 109.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.048 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.31 -56.74 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.95 162.18 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -153.26 169.98 21.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -176.81 133.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.65 178.96 16.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -169.49 162.6 10.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 137.6 50.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -121.11 148.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.9 p -129.4 130.21 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -115.67 106.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.23 -172.99 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.08 148.8 8.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.41 150.8 2.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.416 ' C ' ' HZ3' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -75.07 59.14 5.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 176.25 100.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 175.2 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.39 42.71 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HZ3' ' C ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -73.26 -29.12 62.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.423 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . 2.1 p -82.38 -43.23 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -61.57 -31.46 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' LEU . 6.4 tt -67.51 -63.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.0 tm? -40.24 -65.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.181 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 79.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -177.96 -51.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.16 -59.82 4.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 -52.04 14.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 38.16 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -90.56 50.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.383 0.696 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 39.75 41.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.69 -56.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.85 131.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -157.6 119.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 21' ' ' SER . 8.1 p -110.18 135.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -99.37 148.87 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.74 78.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.92 136.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -84.2 -44.95 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.585 1.178 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.25 96.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 41' ' ' THR . 2.9 t -57.81 116.08 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 45' ' ' VAL . 6.0 t -68.06 132.8 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -37.93 89.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -70.74 -8.23 50.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.41 ' N ' HG23 ' A' ' 42' ' ' THR . 7.1 p 40.29 36.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 61' ' ' ASP . 11.7 tp -126.81 79.48 1.87 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.34 9.92 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.23 44.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 47.2 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 mp -143.5 97.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -47.0 147.47 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 pp -140.21 64.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.0 62.22 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.372 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.72 -69.34 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.5 ttt -130.31 121.19 19.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -175.59 2.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp 51.15 55.55 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -144.35 147.3 33.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.75 154.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -112.94 -49.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 46' ' ' LEU . 1.8 m-20 62.48 103.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.29 161.13 27.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -151.36 22.96 0.96 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 tp -170.41 156.12 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 0.782 . . . . 0.0 109.345 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -42.4 55.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -50.69 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.51 -61.05 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -51.19 -39.01 55.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.03 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.6 -37.37 87.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 61' ' ' ASP . 2.9 t -56.75 -51.02 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.215 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -38.23 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -64.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -52.65 97.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.05 -143.71 14.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.93 -22.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.98 164.14 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.51 -69.6 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 178.52 161.95 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 49.17 77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -178.34 140.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 41.18 -157.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mt 65.74 124.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -123.45 -174.39 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -84.0 156.41 22.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.15 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -150.73 -48.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.456 HH22 ' ND1' ' A' ' 143' ' ' HIS . 1.2 tpt180 -107.64 153.08 23.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.411 ' CG1' ' HA ' ' A' ' 117' ' ' ALA . 9.9 p -158.7 123.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.645 ' HB2' ' HZ3' ' A' ' 118' ' ' LYS . 10.2 tt -132.13 110.56 10.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.578 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 7.6 p90 -110.21 77.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.37 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.1 m -129.51 -168.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 -171.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.58 -74.37 0.51 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.4 p -118.13 -41.0 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -38.8 132.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 m -156.46 82.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.19 -174.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.25 0.04 53.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.83 -10.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -71.97 -49.86 9.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.93 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.7 0.09 57.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -115.39 -1.93 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.578 ' CG2' ' CE2' ' A' ' 92' ' ' PHE . 3.6 pt -117.08 -39.37 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.217 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.465 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -40.56 -55.95 4.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 53.31 3.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.39 1.732 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 107' ' ' ILE . 7.0 tp10 -134.22 -45.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.39 41.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.5 mt -119.55 -46.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.418 ' CB ' ' CD1' ' A' ' 115' ' ' LEU . . . -76.84 -168.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.65 81.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.418 ' CD1' ' CB ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -167.7 157.3 9.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.498 ' HB3' ' CD2' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.0 148.5 35.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.411 ' HA ' ' CG1' ' A' ' 90' ' ' VAL . . . -125.52 132.25 52.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.645 ' HZ3' ' HB2' ' A' ' 91' ' ' LEU . 4.2 mtmp? -97.36 135.97 38.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 20.2 tp -144.2 102.59 4.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 pt -130.73 -173.26 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.2 t -99.05 144.22 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.541 ' O ' ' C ' ' A' ' 124' ' ' VAL . 8.3 p -76.51 66.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.547 ' CG2' ' N ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER 29.1 -97.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.547 ' N ' ' CG2' ' A' ' 124' ' ' VAL . 20.6 ttt180 74.62 -61.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -152.62 -165.98 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt 68.7 49.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 42.95 31.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.81 116.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 131' ' ' THR . 21.2 mm -64.81 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 130' ' ' ILE . 6.3 t -37.65 -38.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.421 1.075 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.28 -45.99 85.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.32 -45.09 44.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.44 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.56 -41.07 96.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.7 -46.39 89.98 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.4 ttp -69.15 73.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.1 t -130.65 62.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -40.77 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.03 137.88 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -49.83 101.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -48.57 142.69 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.498 ' CD2' ' HB3' ' A' ' 116' ' ' PRO . 52.5 t-80 -112.63 -15.55 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.617 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.21 -73.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.4 mt 62.88 72.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.71 127.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.87 147.02 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.416 HD22 ' CD1' ' A' ' 159' ' ' LEU . 1.9 pp -176.18 163.27 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 150' ' ' ALA . 52.4 p -141.64 130.24 22.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 152' ' ' THR . . . -45.41 -94.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.4 -89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 152' ' ' THR . 1.0 OUTLIER -175.33 71.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 147.99 -156.18 26.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 69.46 -149.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.571 0.807 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . -41.78 -84.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.435 ' CG2' ' C ' ' A' ' 155' ' ' GLY . 0.0 OUTLIER 40.02 -97.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 155' ' ' GLY . 32.4 t70 -45.45 -50.53 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 36.6 t -41.78 -47.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.416 ' CD1' HD22 ' A' ' 148' ' ' LEU . 28.3 mt -73.11 -44.41 60.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -34.93 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.1 -50.56 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -52.72 -31.89 40.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.641 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -49.99 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -54.88 -60.01 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -43.0 -37.29 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 54.3 p -99.87 75.14 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.33 -67.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.084 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 89.26 137.71 6.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.5 mt -65.02 113.03 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.485 ' CG ' ' N ' ' A' ' 171' ' ' ARG . 75.1 t60 -178.1 167.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER 64.17 127.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.65 113.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.968 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.91 149.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.365 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 mt 65.13 95.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -104.69 139.93 38.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.64 166.94 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.59 107.94 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.464 ' HG2' ' CB ' ' A' ' 167' ' ' MET . 0.0 OUTLIER -159.32 170.75 21.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HZ3' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -131.89 165.19 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -144.37 157.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.22 100.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.0 mt -92.74 84.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.3 167.66 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.57 129.82 2.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.22 156.21 0.49 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.67 19.91 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 68.09 50.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.83 27.86 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.53 72.69 0.49 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -107.76 -58.02 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -54.33 -49.1 70.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.6 m -47.85 -39.22 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.77 -58.9 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -39.34 59.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -63.05 -46.74 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.0 -57.56 4.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.083 . . . . 0.0 109.383 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 55.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.37 -52.78 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.15 -63.35 0.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 9.4 ptp180 -65.96 147.5 53.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.85 -62.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.32 129.57 40.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mm -103.07 118.39 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.606 1.192 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.07 140.35 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.9 p -125.57 140.35 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.54 88.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 tp -140.71 149.48 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.16 -54.96 3.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.64 101.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.2 p -54.67 142.65 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.6 p -63.88 156.67 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -81.69 -19.94 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -108.18 3.06 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 44' ' ' ASP . 9.9 p 46.88 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -119.34 96.55 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 9.08 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -103.27 37.93 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER 40.45 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.557 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.4 mm -149.94 113.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.524 ' CE1' HH21 ' A' ' 160' ' ' ARG . 5.8 t-80 -95.5 116.48 28.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mm -130.63 126.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -86.6 -41.28 14.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.375 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.0 -74.03 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.26 170.66 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 0.796 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.19 143.26 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -164.29 -56.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp 64.22 116.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mm -138.25 157.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -134.68 131.78 38.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.7 t -96.57 73.46 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.74 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.02 -64.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.89 166.1 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -44.51 -47.86 10.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.15 -65.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.0 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -39.91 -38.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.942 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -76.79 -70.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -40.15 -47.34 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.2 t -44.61 -60.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.392 1.057 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -49.8 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -56.46 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 mm -45.35 -48.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.19 42.22 2.01 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.549 1.156 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.7 mp 59.92 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.64 160.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.26 -82.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.65 -49.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -108.3 85.2 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.63 126.41 51.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -48.48 139.25 9.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.5 tp -148.77 111.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 3.3 mm-40 -48.98 174.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -123.01 136.66 54.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 115' ' ' LEU . . . -45.69 105.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 3.0 m-20 -108.02 63.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER 162.91 130.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.9 t -124.79 118.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.1 98.49 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -115.17 142.18 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.78 137.99 31.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' GLY . 32.0 m -119.73 6.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 60.72 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -171.8 -132.68 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.1 t -46.63 -30.94 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.0 p -39.76 125.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -133.03 164.75 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -174.85 174.04 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.6 -1.47 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.38 -15.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -61.89 -49.76 84.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -74.95 -43.71 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.56 65.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 174.42 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.4 pt -92.13 -29.76 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.458 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -56.83 -56.09 36.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.95 56.32 4.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.73 -46.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -40.93 -33.43 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.7 mp -82.17 79.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -177.27 128.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 56.98 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 87' ' ' ALA . 1.1 pp -145.74 154.75 52.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 151.86 39.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -133.23 86.61 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -63.99 126.8 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.41 120.6 47.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 154.55 42.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mm -118.97 163.89 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.435 ' CG2' HG22 ' A' ' 130' ' ' ILE . 0.9 OUTLIER -94.57 147.54 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' VAL . 3.5 t -79.95 54.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 123' ' ' VAL . 76.4 t 37.41 -100.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 123' ' ' VAL . 0.0 OUTLIER 76.67 -67.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.083 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.99 -171.16 3.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.92 46.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 41.02 44.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 131' ' ' THR . 1.7 m-20 63.84 104.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.549 ' O ' ' C ' ' A' ' 131' ' ' THR . 4.2 tp -46.25 -23.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . 0.549 ' C ' ' O ' ' A' ' 130' ' ' ILE . 4.4 m -25.77 -67.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.467 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -39.7 -83.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.34 -49.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -59.03 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -57.78 5.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -41.2 -53.93 3.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.73 99.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.715 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.83 51.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.065 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.6 7.47 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.5 p -154.76 147.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.14 89.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.18 134.29 33.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -67.16 -44.65 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -161.78 150.97 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.0 mt -114.57 120.72 41.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.84 139.53 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -105.04 134.52 48.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.3 pp -152.44 176.22 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.5 t -125.0 -178.18 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -89.93 -61.94 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 151' ' ' ARG . 1.3 ttp-105 -63.21 -69.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 154' ' ' GLU . 76.7 p -92.22 78.18 5.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -53.61 88.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' THR . 7.4 mt-10 -54.91 -45.04 74.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 0.75 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -132.98 60.24 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.54 -2.6 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 0.793 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.88 -48.3 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.519 ' O ' ' CD2' ' A' ' 162' ' ' HIS . 66.1 t -60.86 -19.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 5.1 tp -82.43 -44.05 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.524 HH21 ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -60.17 -51.99 67.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.238 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 164' ' ' LYS . 6.1 m-80 -46.09 -65.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 158' ' ' VAL . 36.2 m-70 -40.22 -43.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.605 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.42 ' HA ' ' NH1' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -48.99 -49.84 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 161' ' ' ASN . 23.9 pttt -87.94 55.34 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -149.74 -54.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 44.7 t -92.04 20.92 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.464 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 63.86 134.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.5 pt -65.9 123.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 171' ' ' ARG . 0.7 OUTLIER -175.41 169.89 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.62 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER 83.55 -58.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.71 112.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 0.806 . . . . 0.0 109.975 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.88 -64.23 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tp -177.13 134.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -106.61 -45.88 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 66.17 113.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.62 160.18 26.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -175.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -118.97 -179.54 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 p -155.51 152.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.74 129.61 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mt -129.88 83.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.65 159.0 20.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.7 -154.54 25.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.414 1.071 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.08 125.37 89.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 86.23 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.445 1.761 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 162.5 -37.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.84 61.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 36.84 84.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 -31.93 11.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.65 -41.74 10.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -50.33 -28.22 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.88 -40.34 47.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -42.71 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -58.66 -43.63 89.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.1 91.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.82 -67.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.71 -66.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.27 28.78 35.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -78.44 148.81 33.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 0.753 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 1.7 mp0 -78.82 63.16 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 31' ' ' GLU . . . 169.34 65.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 124.33 19.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tp -123.92 140.09 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.67 112.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 t -88.97 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.36 88.25 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.408 HG23 ' NH2' ' A' ' 47' ' ' ARG . 2.3 tt -135.63 160.84 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.96 -39.46 6.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.77 109.85 0.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -73.41 102.16 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 45' ' ' VAL . 9.8 t -47.24 120.67 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -35.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.1 p30 -70.04 -8.74 51.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' ARG . 46.1 t 69.79 -59.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 61' ' ' ASP . 5.2 tp -37.84 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' VAL . 18.1 tpt180 -124.93 8.79 8.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' HIS . 67.8 mt-10 -130.65 31.75 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' GLU . 24.4 p80 37.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.612 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 59' ' ' ILE . 6.6 tp -160.27 110.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -76.85 127.28 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.1 mm -115.82 83.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -41.47 -41.44 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.16 -92.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttt -121.24 141.32 32.84 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.77 4.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.33 146.19 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 69.19 139.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 50' ' ' ILE . 10.6 pt -148.83 155.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.47 ' C ' ' CD1' ' A' ' 60' ' ' ILE . 1.8 pp -112.21 -171.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' HB3' ' CB ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -156.26 143.51 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 8.2 p -83.67 124.7 31.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.457 ' HB3' ' CG1' ' A' ' 84' ' ' ILE . . . -70.5 -81.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.408 ' HA2' ' NE2' ' A' ' 86' ' ' GLN . . . 99.77 -69.58 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.59 140.75 43.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -42.39 -51.21 4.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.03 -46.47 75.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -52.03 -47.56 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' ALA . 8.2 t -38.04 -49.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -72.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -40.89 -33.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.413 ' CG1' ' OD2' ' A' ' 61' ' ' ASP . 73.4 t -71.25 -55.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.67 81.84 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.2 -31.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 tt -76.0 -17.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.395 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.75 3.63 34.18 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.9 mt 58.17 86.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -170.0 175.1 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' GLU . 1.1 mtm180 -38.84 124.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 81' ' ' TRP . . . -88.29 46.11 1.35 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CG ' ' O ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER 161.18 70.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' TRP . 2.0 mt-30 166.53 136.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 69.27 103.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.457 ' CG1' ' HB3' ' A' ' 63' ' ' ALA . 3.3 tp -175.33 56.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.35 106.3 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 87' ' ' ALA . 2.1 pp0? -130.34 -165.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 86' ' ' GLN . . . 56.36 101.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.88 -51.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.48 ' NH1' ' ND1' ' A' ' 143' ' ' HIS . 0.6 OUTLIER -130.6 116.71 18.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 117' ' ' ALA . 54.8 t -93.24 133.4 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.412 1.07 . . . . 0.0 109.237 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.94 85.83 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -82.67 100.26 10.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -77.02 117.78 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.6 t -125.35 130.24 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 174.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.61 -101.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.3 p -107.53 50.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.373 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.6 m -98.7 108.28 20.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.5 t -91.73 159.84 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.5 148.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.54 -5.83 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.1 t -96.05 -20.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.12 -51.83 71.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.03 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.41 ' HA ' ' CD1' ' A' ' 108' ' ' TRP . . . -50.19 -31.31 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.55 -42.76 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -86.19 46.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.585 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -92.43 -62.17 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.585 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.02 -6.57 18.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.567 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 5.2 mm-40 -78.55 -49.35 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -43.75 -48.4 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.2 pp -91.82 109.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.52 177.41 4.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -122.71 44.25 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -159.5 154.79 21.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.74 43.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.435 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . . . -142.82 106.52 4.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -177.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 129.67 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' A' ' 148' ' ' LEU . 18.3 Cg_endo -74.96 177.36 8.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 147' ' ' ARG . 0.6 OUTLIER -137.01 -46.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.7 m 70.27 134.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.434 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.48 55.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.439 HG12 ' CG2' ' A' ' 130' ' ' ILE . 8.7 p -43.19 148.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -67.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.83 104.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 129' ' ' ASP . 2.3 ttmm -65.71 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.613 1.196 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.53 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -173.36 -49.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.439 ' CG2' HG12 ' A' ' 124' ' ' VAL . 18.9 pt -61.11 -28.24 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.4 m -58.92 -66.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.34 57.11 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.81 -53.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.419 ' CG2' ' CG2' ' A' ' 121' ' ' ILE . 82.8 m -62.16 -70.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 110.435 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -55.03 40.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 138' ' ' SER . . . -41.27 -67.19 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 85.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -137.65 67.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.69 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.55 142.22 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -47.53 -52.66 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 65.71 146.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.48 ' ND1' ' NH1' ' A' ' 89' ' ' ARG . 10.6 t60 -41.42 -61.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -173.28 -164.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -131.56 128.89 40.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.55 111.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -70.69 151.63 44.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -167.2 -167.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.462 ' CB ' ' HB ' ' A' ' 152' ' ' THR . 0.0 OUTLIER -132.77 -165.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -108.13 -52.14 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 151' ' ' ARG . 1.7 ptm85 -106.01 -34.31 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.229 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 149' ' ' SER . 3.3 m -64.87 -13.28 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 74.14 -93.02 0.76 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.9 -67.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . -93.87 -93.99 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 157' ' ' ASP . 76.4 t 55.25 -90.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 0.711 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 155' ' ' GLY . 14.2 t70 -48.1 -42.83 30.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 37.8 t -47.81 -80.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.1 pp -46.37 -38.68 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -42.65 -57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.93 -45.64 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -67.4 -28.0 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -70.73 -21.98 62.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.212 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -91.99 -56.64 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -41.36 -35.47 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 32.0 m -59.13 -46.91 87.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 164' ' ' LYS . 28.2 mtt -48.98 117.68 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -99.42 160.9 19.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.1 pt -48.07 107.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 0.714 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.02 140.99 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.561 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.02 136.62 52.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 10.8 t70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -121.14 178.27 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -172.18 177.65 3.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.62 174.67 18.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mtt -171.68 -176.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HB3' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -98.55 123.93 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.845 HG11 HD21 ' A' ' 163' ' ' LEU . 4.9 m -121.23 137.66 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.74 ' CG1' HG23 ' A' ' 90' ' ' VAL . 9.4 p -117.25 143.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.5 mt -123.22 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.45 -177.51 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.54 55.91 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.165 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.482 HH12 ' HB2' ' A' ' 18' ' ' ALA . 16.0 mtm105 63.87 150.56 0.11 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -74.99 112.68 3.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 5.8 t30 78.56 85.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB2' HH12 ' A' ' 15' ' ' ARG . . . -168.78 35.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.21 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.47 54.39 3.76 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 0.709 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 m -63.73 -56.74 13.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -34.71 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -63.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -40.93 -47.91 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -45.21 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.12 -26.65 4.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.7 tp -66.54 -67.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.77 117.76 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.02 -26.78 3.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 11.7 mtm-85 -50.11 150.44 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.797 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.8 mp0 -92.65 -63.46 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.4 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' GLU . . . -83.0 106.98 15.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.77 138.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.33 140.78 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -122.9 -174.36 2.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -101.91 139.24 37.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -36.49 -42.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' N ' HG12 ' A' ' 38' ' ' ILE . . . 39.26 30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 96.13 115.08 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.529 HG22 ' NH2' ' A' ' 47' ' ' ARG . 11.9 p -52.88 122.94 10.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.415 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -59.46 148.84 31.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.25 84.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' C ' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -76.16 -4.14 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 45' ' ' VAL . 7.5 p 42.22 40.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.815 HD13 ' H ' ' A' ' 62' ' ' THR . 3.0 tp -121.43 73.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' NH2' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -109.49 15.82 22.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.163 . . . . 0.0 110.26 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.541 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -110.58 36.02 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.24 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' ' NH2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER 51.38 -175.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 58' ' ' HIS . 1.4 pt -122.7 96.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -68.24 120.21 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.631 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 tp -152.88 102.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.39 -35.5 27.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -47.76 -95.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.7 151.36 37.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.97 84.07 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 5.0 t-80 -154.43 115.84 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.66 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 pp -99.82 128.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 61' ' ' ASP . 5.7 mt -123.95 160.8 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.559 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -151.09 119.4 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.815 ' H ' HD13 ' A' ' 46' ' ' LEU . 20.4 m -106.23 104.32 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.448 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.74 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -88.28 -96.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.67 18.28 14.69 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.16 162.31 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 0.795 . . . . 0.0 109.319 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -25.11 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.538 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . . . -70.41 -57.67 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.568 ' HB3' HG21 ' A' ' 84' ' ' ILE . 9.2 m -54.3 -37.08 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.14 -43.92 85.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -26.74 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.74 HG21 ' HB2' ' A' ' 63' ' ' ALA . 2.5 t -65.65 -46.09 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.65 52.7 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -165.43 -43.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -67.41 -39.9 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . -90.4 39.55 3.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.557 1.16 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' GLY . 3.7 mt 40.36 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -161.58 135.21 6.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -51.64 150.56 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.68 64.32 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -106.91 -162.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.986 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.31 129.58 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 170.52 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 69' ' ' SER . 0.9 OUTLIER -173.88 128.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.72 -169.96 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -112.28 166.82 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.81 158.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -133.74 -55.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.476 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 40.1 mmt-85 -108.25 94.06 4.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.74 HG23 ' CG1' ' A' ' 11' ' ' VAL . 7.8 p -100.34 80.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -77.21 142.09 39.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.642 ' N ' HD22 ' A' ' 91' ' ' LEU . 70.8 m-85 -105.99 156.88 17.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 mmt -129.22 117.72 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.864 HG22 ' HG2' ' A' ' 120' ' ' PRO . 6.1 m -120.16 153.99 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.06 109.14 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.59 -150.03 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 t -87.98 50.25 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.9 m -101.55 130.82 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.375 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 m -120.1 102.81 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -99.91 174.81 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -16.23 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 t -93.02 -9.35 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.515 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -60.63 -51.78 77.3 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.0 Cg_endo -75.03 -38.17 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 62.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.7 OUTLIER 169.8 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.969 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -96.26 -16.51 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.468 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -66.48 -56.49 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 107.981 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.02 55.58 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -150.16 -51.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -42.48 -38.37 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -84.84 79.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.05 -179.93 8.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.077 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -115.18 54.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.06 156.16 14.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.74 42.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 118' ' ' LYS . . . -101.11 -70.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.53 ' NZ ' HD12 ' A' ' 159' ' ' LEU . 0.4 OUTLIER 82.88 88.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 145' ' ' LEU . 4.0 mt -90.02 150.47 43.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.864 ' HG2' HG22 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.04 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 147' ' ' ARG . 5.2 mt -136.29 151.09 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -103.5 142.58 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.446 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.14 42.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 1.035 HG12 HD11 ' A' ' 130' ' ' ILE . 6.6 p -79.8 175.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.606 ' H ' HG22 ' A' ' 124' ' ' VAL . 11.8 ptp180 -52.95 177.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.36 107.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.8 76.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.383 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.2 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.035 HD11 HG12 ' A' ' 124' ' ' VAL . 17.9 mm -67.43 -64.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.2 p -42.73 -40.37 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.09 -54.98 12.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -102.32 48.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -115.31 -39.59 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -69.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -39.07 -54.27 2.5 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.13 57.01 3.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 0.842 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.3 t 70.76 -69.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.621 ' O ' HG12 ' A' ' 140' ' ' VAL . 0.3 OUTLIER 174.42 -176.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 139' ' ' GLU . 0.4 OUTLIER 73.14 152.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -98.17 88.18 4.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.99 132.05 50.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -42.5 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -153.46 142.83 21.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.543 ' C ' HD12 ' A' ' 146' ' ' ILE . 8.9 mt -106.36 115.39 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 145' ' ' LEU . 4.3 mp -129.02 129.67 68.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.469 ' HB3' ' CG2' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -83.52 152.12 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.59 174.76 4.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.5 p -139.98 171.19 14.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.068 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.96 -75.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -85.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 87.8 m -66.12 137.74 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -79.66 61.86 4.2 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.21 -70.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -131.62 71.1 0.51 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 41.8 t -102.0 -46.63 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.98 -35.33 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.53 HD12 ' NZ ' ' A' ' 118' ' ' LYS . 0.3 OUTLIER -79.42 -23.63 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -47.24 16.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -60.29 -25.8 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -91.58 21.05 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.845 HD21 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -122.01 -44.14 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -66.24 -33.72 76.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -39.88 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.476 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 23.1 m -58.41 -72.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -50.2 131.89 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.88 168.67 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 170' ' ' HIS . 4.1 mm 55.16 169.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.514 ' N ' HG22 ' A' ' 169' ' ' ILE . 2.1 t-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.29 162.18 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -103.97 139.11 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 120.09 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.97 -166.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 151.71 46.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 10' ' ' VAL . 16.5 m -149.56 103.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.577 HG13 HG23 ' A' ' 90' ' ' VAL . 7.1 p -85.31 151.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt -129.84 88.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.87 -177.53 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.27 158.85 7.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.3 ptt85 -57.36 158.74 9.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.73 11.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.48 83.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.19 -57.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.31 68.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -110.2 -87.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 0.81 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 m -49.61 -31.1 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -44.6 83.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 HD22 ' A' ' 91' ' ' LEU . 7.6 tp -69.0 -43.08 75.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 24' ' ' LEU . 3.6 tt -43.76 -55.42 4.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' ND2' ' HB1' ' A' ' 33' ' ' ALA . 3.2 m-20 -44.07 -70.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.87 -49.73 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.94 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.49 -57.33 4.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.74 62.67 5.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -128.09 39.36 3.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 0.731 . . . . 0.0 110.25 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 54.48 169.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 42.96 81.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' HB1' ' ND2' ' A' ' 25' ' ' ASN . . . -63.23 118.8 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -103.63 124.0 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -130.98 140.97 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -136.29 151.62 49.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.93 78.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mm -56.86 159.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.52 -63.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' C ' ' HG1' ' A' ' 41' ' ' THR . . . -97.45 50.43 1.43 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 40' ' ' GLY . 77.1 p 40.64 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 p -127.37 147.1 50.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.67 -42.62 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.614 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -83.9 -0.67 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 44' ' ' ASP . 8.0 p 47.21 32.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.567 HD22 ' HA ' ' A' ' 61' ' ' ASP . 5.5 tp -110.04 99.33 8.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.06 4.51 7.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.597 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.7 mp0 -92.1 15.39 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 50.36 -175.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.779 HD13 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -130.25 166.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CE1' HH21 ' A' ' 160' ' ' ARG . 1.2 t-80 -170.48 102.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.72 87.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -41.03 -49.94 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.44 -89.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -128.82 132.94 24.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 55' ' ' MET . 18.3 Cg_endo -74.94 58.58 4.89 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.98 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -134.72 152.88 52.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.534 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.626 ' C ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -139.75 98.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.2 mt -113.65 146.35 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.567 ' HA ' HD22 ' A' ' 46' ' ' LEU . 7.1 m-20 -133.96 134.62 42.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 62' ' ' THR . 9.7 t -78.09 104.97 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 45' ' ' VAL . . . -65.31 -97.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.46 -72.28 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.108 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.1 -148.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.41 -47.72 16.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -64.13 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' VAL . . . -45.83 -53.48 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -49.05 -48.46 43.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.046 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -61.29 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -55.12 -29.91 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 63' ' ' ALA . 2.1 t -65.55 -26.89 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE1' ' CG ' ' A' ' 82' ' ' GLN . 5.0 mm-40 -90.68 -8.65 49.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 -89.81 -63.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -19.08 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.85 -20.52 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt 50.74 61.36 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.91 89.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.15 162.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.96 9.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.91 134.53 26.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 1.1 pt20 -153.18 -159.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.16 152.59 32.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -149.72 -46.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 76.97 154.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.85 179.57 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.743 ' O ' HD11 ' A' ' 115' ' ' LEU . . . -67.43 155.29 39.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.468 ' HA ' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -116.81 -7.08 11.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 1.4 tpp180 -163.91 141.14 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 11' ' ' VAL . 1.4 p -132.33 127.46 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.871 HD11 HD21 ' A' ' 159' ' ' LEU . 0.7 OUTLIER -100.19 131.6 46.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.957 ' CE2' HG22 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -124.45 104.86 8.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.455 ' HA ' ' CG ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -82.61 135.31 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.69 109.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.63 148.12 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.366 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 122' ' ' THR . . . -62.9 135.55 43.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.716 HG23 ' OE1' ' A' ' 133' ' ' GLU . 2.3 m 39.31 56.51 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.0 m -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -104.23 98.5 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' ASP . 45.6 m-20 -107.42 169.92 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.8 -9.79 59.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.01 0.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.517 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.04 -51.78 3.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.04 -36.84 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.66 -13.24 40.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.21 -42.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.957 HG22 ' CE2' ' A' ' 92' ' ' PHE . 1.1 pt -92.57 25.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.478 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -79.57 -57.75 0.69 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -16.74 20.03 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.85 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.457 ' CE1' HG23 ' A' ' 140' ' ' VAL . 0.4 OUTLIER -87.37 48.02 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 tp -174.39 76.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -178.46 157.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.57 ' C ' HD22 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -92.24 37.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.743 HD11 ' O ' ' A' ' 87' ' ' ALA . 4.2 mm? -121.53 132.62 24.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.5 Cg_endo -75.08 138.15 22.48 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.91 139.77 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 162' ' ' HIS . 0.5 OUTLIER -117.41 143.95 45.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -128.66 140.53 38.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.455 ' CG ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.99 -168.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.413 1.744 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.565 ' CG1' HD22 ' A' ' 145' ' ' LEU . 63.5 mt -145.41 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.737 ' O ' HG21 ' A' ' 130' ' ' ILE . 2.1 m -115.06 59.76 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 123' ' ' VAL . 9.8 p -72.6 67.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -91.31 -175.69 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -43.15 160.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.4 m120 64.03 86.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -5.1 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.44 -46.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.737 HG21 ' O ' ' A' ' 122' ' ' THR . 4.9 mp -80.19 -37.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.4 m -64.84 -27.44 68.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.67 -30.36 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.592 1.182 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.716 ' OE1' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -74.26 -38.45 63.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.221 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.756 ' C ' HD23 ' A' ' 135' ' ' LEU . 7.8 t -75.19 -54.43 7.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.756 HD23 ' C ' ' A' ' 134' ' ' THR . 1.6 pt? 38.72 -150.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.415 ' N ' ' HG ' ' A' ' 135' ' ' LEU . . . -76.14 62.01 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.552 ' HG3' HD11 ' A' ' 145' ' ' LEU . 1.2 mpp? 60.86 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER 159.45 -35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.756 ' O ' HG12 ' A' ' 140' ' ' VAL . 12.0 pt-20 -166.37 173.17 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 139' ' ' GLU . 6.4 p 50.75 177.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.668 ' H ' HG22 ' A' ' 140' ' ' VAL . 6.1 t-20 -102.2 122.99 45.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -78.48 136.87 18.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -73.7 -48.8 29.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.41 124.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.565 HD22 ' CG1' ' A' ' 121' ' ' ILE . 1.1 mt -104.3 97.84 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 2.5 pp -125.96 165.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.21 147.33 33.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 148' ' ' LEU . 0.0 OUTLIER -174.64 145.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.603 ' N ' HD22 ' A' ' 148' ' ' LEU . 27.3 p -125.1 128.79 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.35 64.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.38 -70.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 38.8 p -103.71 6.25 36.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.83 52.54 51.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -40.8 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 158' ' ' VAL . . . -135.4 52.33 0.8 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.3 p -77.87 -2.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -50.86 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 155' ' ' GLY . 9.4 p -59.32 -22.44 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.871 HD21 HD11 ' A' ' 91' ' ' LEU . 1.4 tm? -78.75 -57.27 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.709 HH21 ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -49.63 -51.19 39.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.384 1.052 . . . . 0.0 110.376 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -49.27 -54.3 17.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -54.43 -33.43 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.413 HD13 HD13 ' A' ' 159' ' ' LEU . 3.4 mp -79.06 -24.4 43.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.53 -48.67 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -15.57 50.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 1.4 t -79.29 -59.48 2.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 58.5 mtm -43.8 105.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -75.36 162.2 53.31 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.2 pt -57.44 120.27 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.577 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.4 143.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -134.74 148.44 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.63 128.66 2.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.44 ' CE ' ' HB2' ' A' ' 88' ' ' ASP . 0.6 OUTLIER -170.08 150.43 3.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.921 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.546 ' HE3' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -113.86 146.74 39.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.741 HG21 HD21 ' A' ' 163' ' ' LEU . 5.8 m -126.17 147.34 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.61 139.11 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.906 HG22 ' HB3' ' A' ' 91' ' ' LEU . 1.1 pt -123.9 77.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.76 121.03 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 93' ' ' MET . . . -151.75 -168.21 15.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.499 HH21 ' CB ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -78.42 157.99 76.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.743 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -5.08 16.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -146.73 67.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 15' ' ' ARG . . . -131.59 -67.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.68 62.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.381 1.051 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -110.08 -15.96 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -86.59 -56.69 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -55.73 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.2 pp -58.53 -29.21 66.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.02 -19.73 59.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.82 21.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -121.26 42.15 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -108.78 -47.68 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.24 -55.0 1.53 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -40.83 116.96 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.2 tp10 -38.85 148.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.651 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . 62.5 -82.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 81.82 101.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pt -85.13 154.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.4 149.04 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -116.22 160.81 19.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.29 82.75 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.49 121.84 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.31 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' THR . . . -51.0 110.19 0.91 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 13.9 p -38.53 153.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -91.1 -19.5 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 42' ' ' THR . 22.9 mmt180 66.78 -60.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -67.67 -8.76 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' ARG . 22.8 t 70.55 -60.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.15 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -140.21 23.08 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.84 63.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 44.02 -165.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.525 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 50' ' ' ILE . 3.6 mp -114.92 -38.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 50.12 87.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.9 tp -130.34 97.18 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.3 t70 -55.52 -49.55 72.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . -37.72 -82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.7 140.97 15.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.48 58.11 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -168.33 127.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.558 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -111.3 153.66 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 61' ' ' ASP . 18.4 mm -106.62 -98.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.507 ' N ' HG22 ' A' ' 60' ' ' ILE . 1.0 OUTLIER 156.38 69.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 62' ' ' THR . 3.0 m -67.02 69.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . -76.12 -160.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.66 -65.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.57 -168.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 0.816 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -73.37 -48.18 36.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -37.34 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.182 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 25.5 t -49.1 -35.9 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' HB2' HH21 ' A' ' 74' ' ' ARG . 30.1 m-20 -80.25 -51.27 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -50.93 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.28 -19.29 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 69' ' ' SER . 16.3 mm-40 -91.9 -9.01 44.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.479 HH21 ' HB2' ' A' ' 70' ' ' ASP . 8.0 mtm180 -93.12 -50.79 5.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.927 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -68.32 -25.15 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.74 -15.35 58.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.451 1.094 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mt 57.75 101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -172.29 75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.252 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 48.18 -92.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -174.41 -55.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.26 91.73 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 36.94 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 42.96 86.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -78.41 141.19 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' N ' HD13 ' A' ' 84' ' ' ILE . 1.3 mm-40 -82.17 135.66 35.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.32 163.02 14.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.546 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . . . -77.33 149.99 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.44 ' HB2' ' CE ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -138.04 20.13 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.716 ' N ' HD12 ' A' ' 115' ' ' LEU . 6.4 mmm-85 -164.05 154.19 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.444 HG23 ' HG ' ' A' ' 115' ' ' LEU . 21.1 t -137.17 147.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.906 ' HB3' HG22 ' A' ' 12' ' ' ILE . 3.9 tt -129.07 91.96 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' HB3' HD13 ' A' ' 119' ' ' LEU . 11.0 m-85 -72.02 162.97 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.457 ' CG ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -149.38 124.76 10.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 110.989 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.58 116.24 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -64.65 113.0 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.14 -151.41 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.7 t -96.65 42.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.0 m -101.35 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.433 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.2 m -119.38 126.33 51.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -160.84 176.31 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.484 ' C ' HG23 ' A' ' 102' ' ' VAL . . . -49.64 177.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 4.3 t 76.36 -55.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -50.38 -51.7 61.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.01 1.89 7.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -95.64 -39.99 9.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.499 ' CB ' HH21 ' A' ' 15' ' ' ARG . 0.1 OUTLIER -95.46 51.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.25 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 108' ' ' TRP . 3.9 tt -143.45 -48.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -44.41 -56.39 8.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 108.029 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.03 56.45 4.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.369 1.721 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.29 -72.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.685 ' HB2' HG11 ' A' ' 140' ' ' VAL . 3.5 t80 -46.56 -34.99 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pp -95.16 81.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.381 1.05 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.89 -98.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.4 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 89' ' ' ARG . 1.4 pt? -68.14 150.18 97.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.05 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 143' ' ' HIS . . . -152.84 169.97 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.632 ' HZ3' HD23 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -142.36 122.96 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 92' ' ' PHE . 4.2 mm? -103.98 123.25 41.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.422 ' CG ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.96 175.95 10.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.558 1.82 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.634 HD11 ' CB ' ' A' ' 145' ' ' LEU . 7.7 mt -140.1 148.31 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.594 HG22 HG12 ' A' ' 124' ' ' VAL . 66.4 m -133.17 90.03 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.726 ' HA ' HG21 ' A' ' 130' ' ' ILE . 8.8 m -98.51 83.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.594 HG12 HG22 ' A' ' 122' ' ' THR . 2.4 p -137.07 120.66 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.377 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 127' ' ' LYS . 5.3 mtp180 57.76 172.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.505 ' HB2' HD12 ' A' ' 130' ' ' ILE . 6.9 m120 69.76 -65.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 125' ' ' ARG . 1.9 mttm 68.4 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -51.7 -60.61 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.62 -40.11 71.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 1.034 HG23 HG21 ' A' ' 134' ' ' THR . 9.9 mt -89.32 78.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -162.15 -73.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.39 -48.37 60.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.79 -62.53 1.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 0.793 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . 1.034 HG21 HG23 ' A' ' 130' ' ' ILE . 21.7 p -47.22 -63.4 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -58.71 -75.54 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -37.45 -83.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER 35.13 74.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.981 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER -38.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 44.37 -150.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.685 HG11 ' HB2' ' A' ' 111' ' ' PHE . 1.2 m -106.84 179.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.63 81.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -61.33 140.35 47.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' ALA . 12.6 t-80 -59.53 -40.96 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.606 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -170.62 163.76 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.634 ' CB ' HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -132.22 113.13 12.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.751 HG21 HG11 ' A' ' 158' ' ' VAL . 13.3 mm -134.42 139.75 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -80.91 160.92 24.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.95 165.64 15.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.191 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.51 146.01 51.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -49.33 -70.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 151' ' ' ARG . 3.6 ptm85 -43.47 135.11 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 3.3 p -38.63 118.3 0.73 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 130.54 176.16 14.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 56.28 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . 81.08 -117.34 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 52.3 t 61.18 -83.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 155' ' ' GLY . 0.3 OUTLIER -51.45 -37.44 48.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 146' ' ' ILE . 16.0 t -57.02 -38.5 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.632 HD23 ' HZ3' ' A' ' 118' ' ' LYS . 3.3 mp -87.1 -22.52 25.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -37.77 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -32.36 59.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.85 -20.08 61.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.741 HD21 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -83.92 -10.81 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -22.6 15.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.21 -50.99 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 167' ' ' MET . 17.4 p -66.95 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 166' ' ' SER . 2.4 mmt 36.99 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.8 123.12 31.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.7 mt -59.91 118.28 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 26.8 t60 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.16 140.53 28.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -87.39 147.8 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.21 112.22 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.95 -160.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 111.017 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HD2' HD12 ' A' ' 60' ' ' ILE . 1.1 tptp -150.56 153.25 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 10' ' ' VAL . 13.2 p -135.65 117.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.888 ' CG1' HG22 ' A' ' 90' ' ' VAL . 14.4 p -76.86 148.58 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.578 HD13 ' HB2' ' A' ' 91' ' ' LEU . 4.5 mm -116.96 78.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -173.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.44 161.78 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -80.04 151.15 72.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.483 0.755 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 65.58 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.546 1.814 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.98 42.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.369 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.2 -53.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.08 57.12 0.02 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -61.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -41.65 88.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -45.37 79.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.825 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 9.0 mt -57.51 -54.64 44.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 49' ' ' HIS . 7.1 mt -45.37 -64.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -47.75 -35.74 10.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -54.93 -64.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 159' ' ' LEU . 0.5 OUTLIER -104.79 65.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.41 -63.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.05 -50.55 0.79 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -50.54 140.36 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.35 -58.28 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.231 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.07 84.79 2.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.63 -179.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 tp -146.54 96.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.92 143.5 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -125.19 113.6 17.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -98.0 84.06 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tp -142.18 152.29 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.217 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.91 50.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.11 126.6 8.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -72.96 -36.29 67.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.377 0.692 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 m 52.04 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -56.26 -40.7 74.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' O ' HG12 ' A' ' 45' ' ' VAL . 29.8 m-20 -59.5 -16.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.8 p 43.0 28.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.372 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -117.37 59.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -112.62 11.6 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' CA ' HD21 ' A' ' 24' ' ' LEU . 5.4 mp0 -96.24 46.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.56 ' HB2' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER 57.99 -175.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.688 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.621 HG23 HG12 ' A' ' 60' ' ' ILE . 24.2 mm -128.72 83.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -61.89 85.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.598 HG21 ' HB3' ' A' ' 58' ' ' HIS . 12.9 mm -135.19 107.32 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.2 -31.36 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.37 -65.8 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.407 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -136.02 141.69 37.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 55' ' ' MET . 18.0 Cg_endo -74.98 147.84 34.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tp 74.36 52.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.598 ' HB3' HG21 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -123.18 148.63 45.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.3 mm -133.46 148.08 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.621 HG12 HG23 ' A' ' 50' ' ' ILE . 22.9 pt -137.42 -177.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.687 ' HA ' HD13 ' A' ' 46' ' ' LEU . 26.5 m-20 -135.77 149.69 49.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 m -105.41 -62.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HA ' ' HB1' ' A' ' 68' ' ' ALA . . . 56.23 -167.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.12 -63.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.31 -166.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.38 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 65.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -173.4 -44.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.861 ' HB2' HG21 ' A' ' 84' ' ' ILE . 68.7 p -68.06 -19.29 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.995 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -29.51 13.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -53.3 46.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' ' 44' ' ' ASP . 31.0 m -57.98 -28.38 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' GLU . 14.4 mt-10 -87.24 45.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 -48.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.452 HG21 ' OD2' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -75.35 -15.49 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -109.32 40.11 2.67 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 78' ' ' GLU . 1.1 mp 69.06 -59.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 77' ' ' ILE . 96.0 mt-10 -34.26 131.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -113.85 -33.94 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 79' ' ' ARG . . . -44.43 163.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.457 ' O ' ' CE3' ' A' ' 81' ' ' TRP . 50.5 p-90 -117.91 57.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.4 173.36 11.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.52 85.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.861 HG21 ' HB2' ' A' ' 69' ' ' SER . 7.1 tp -161.19 63.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.85 152.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -79.27 163.84 24.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.13 178.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.47 -49.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 116' ' ' PRO . 64.7 mmt-85 -128.97 163.11 26.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.888 HG22 ' CG1' ' A' ' 11' ' ' VAL . 90.2 t -131.91 163.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -132.9 90.98 2.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.79 83.73 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.415 ' SD ' HD11 ' A' ' 23' ' ' LEU . 13.9 tpt -79.47 140.18 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.77 155.43 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -97.04 101.68 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.91 -137.9 7.3 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.9 t -101.88 29.76 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.7 m -84.24 129.59 34.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.488 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' THR . 1.7 t -124.87 85.72 2.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -173.91 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -7.69 57.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 7.2 p -95.14 -15.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -58.8 -52.26 75.99 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.94 -9.11 20.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -74.78 -68.42 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.83 -32.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 107' ' ' ILE . 19.1 tt -96.62 99.95 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -179.36 -59.85 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -9.65 20.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.597 1.84 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.623 ' OE2' HG21 ' A' ' 90' ' ' VAL . 9.4 mm-40 -89.36 -49.0 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -37.72 -55.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.448 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.5 pp -78.71 92.5 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.552 ' HB1' ' CD2' ' A' ' 115' ' ' LEU . . . -168.5 177.23 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -118.5 42.63 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.643 HD12 HG23 ' A' ' 90' ' ' VAL . 1.3 pt? -149.38 143.21 16.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 89' ' ' ARG . 18.0 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.08 146.35 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -93.96 177.79 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.588 HD11 ' OE1' ' A' ' 139' ' ' GLU . 0.1 OUTLIER -163.04 103.39 1.01 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.36 11.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.46 ' HB ' HG23 ' A' ' 134' ' ' THR . 1.2 pt -104.93 97.11 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -44.21 162.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.6 p -149.6 52.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.46 164.67 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.55 -176.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.427 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.8 OUTLIER -42.6 126.46 3.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.224 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.98 66.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.01 -67.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.5 -71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.728 ' C ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -64.61 98.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 130' ' ' ILE . 0.9 OUTLIER 168.75 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.55 96.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.72 -16.84 33.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 0.744 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.46 HG23 ' HB ' ' A' ' 121' ' ' ILE . 0.9 OUTLIER -64.31 -61.62 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 pp -86.29 -36.02 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.23 53.83 4.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.412 1.07 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 139' ' ' GLU . 1.0 OUTLIER -109.12 -11.1 14.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 0.724 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.9 m 50.24 -93.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.588 ' OE1' HD11 ' A' ' 119' ' ' LEU . 55.2 mt-10 47.61 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.24 154.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.08 101.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -75.15 126.03 8.51 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' A' ' 144' ' ' ALA . 57.9 t-80 -81.07 78.18 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 143' ' ' HIS . . . 74.14 146.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.38 96.23 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mp -116.05 116.38 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 167.83 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -173.02 164.53 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.52 96.38 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -45.33 -29.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -53.68 -39.3 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 35.8 p -116.7 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 112.46 51.48 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.567 1.167 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.24 -70.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.286 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -110.26 62.87 0.28 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.545 ' CG2' ' HB1' ' A' ' 26' ' ' ALA . 1.4 p -97.21 -24.79 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -95.22 -13.54 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.03 -56.97 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.685 HD12 ' N ' ' A' ' 160' ' ' ARG . 2.9 pp -61.19 -22.85 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.685 ' N ' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -71.17 -24.52 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -76.2 -32.03 58.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -95.68 20.45 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.421 HD12 ' SD ' ' A' ' 167' ' ' MET . 0.2 OUTLIER -96.19 -61.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -47.13 84.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -48.8 -62.92 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 3.5 m -49.97 -57.96 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.075 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 163' ' ' LEU . 8.8 mtt -39.77 114.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -65.81 168.04 33.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 15.9 tt -88.56 137.77 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.556 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -153.14 -45.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.09 171.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.71 141.32 4.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.411 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -149.87 -172.77 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.969 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.514 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -98.69 147.12 25.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.803 HG21 HD11 ' A' ' 163' ' ' LEU . 3.1 p -143.86 110.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -106.3 151.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -144.6 78.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.88 131.35 44.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.91 165.17 38.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -39.65 137.96 1.04 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 134.7 18.07 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.471 1.774 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.6 t-20 80.94 61.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.17 -46.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.0 48.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.24 -30.77 12.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -46.7 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 m -60.53 -38.99 86.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -59.39 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -42.96 -44.44 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 14.9 m-20 -84.08 82.99 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 25' ' ' ASN . . . 167.33 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -65.39 -41.71 93.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -58.03 7.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.69 64.73 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -118.53 92.08 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.238 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -39.05 -55.29 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.97 94.29 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.49 171.81 7.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tt -167.45 142.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.88 151.37 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -137.43 141.61 41.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.57 97.87 8.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.558 HD13 ' HD2' ' A' ' 47' ' ' ARG . 5.8 tp -42.15 -48.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.2 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -106.2 118.18 5.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -38.91 138.77 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.726 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 t -91.74 114.08 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -27.87 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -69.07 -18.38 63.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG11 ' O ' ' A' ' 63' ' ' ALA . 36.8 t 70.15 -59.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.52 94.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HD2' HD13 ' A' ' 38' ' ' ILE . 6.8 ttp85 -119.45 -13.2 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.562 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.51 48.74 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER 41.91 -161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 52' ' ' ILE . 15.3 tt -112.38 166.53 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.404 ' N ' ' CG1' ' A' ' 50' ' ' ILE . 12.2 t-160 -107.98 59.54 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 56' ' ' PRO . 30.0 mm -43.63 -76.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t70 69.77 -65.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -80.56 -98.55 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -105.98 133.76 20.06 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.542 0.789 . . . . 0.0 111.025 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.508 ' HA ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.05 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.81 -57.89 0.56 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -47.84 114.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.604 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -94.33 150.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.358 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -134.75 133.74 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CB ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -106.52 118.37 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.514 ' HB ' ' CG ' ' A' ' 9' ' ' LYS . 82.6 p -111.88 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.467 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.58 ' O ' HG11 ' A' ' 45' ' ' VAL . . . -59.11 -98.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.6 -89.87 0.14 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -177.3 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -64.31 -53.62 45.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.44 -70.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.21 -45.63 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -70.42 64.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.97 -55.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -39.89 93.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 63' ' ' ALA . 28.7 m -49.38 -45.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 78' ' ' GLU . 8.0 mm-40 -61.34 -27.97 68.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.35 -40.07 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.18 -34.1 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.81 21.02 47.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 77' ' ' ILE . 32.0 mm 47.71 84.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.7 mp0 -158.97 152.3 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 79' ' ' ARG . 22.0 ttp-105 -76.68 131.94 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.23 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.6 t90 66.55 70.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 108.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -70.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.32 165.92 3.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -177.56 131.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -79.27 165.71 22.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 150.0 29.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.01 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -122.16 -64.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -110.98 143.85 41.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.493 HG13 ' CB ' ' A' ' 117' ' ' ALA . 12.2 p -136.69 130.51 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.525 HD11 ' NZ ' ' A' ' 118' ' ' LYS . 9.4 tt -139.65 95.66 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.553 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 17.2 p90 -97.13 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 tpt -64.6 148.82 50.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' A' ' 92' ' ' PHE . 88.6 t -118.49 139.11 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.14 108.97 10.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.05 -154.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.424 1.078 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 t -77.43 -39.53 46.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -47.6 120.16 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 m -112.8 92.77 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.83 172.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.23 -10.85 59.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.448 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 34.6 t -94.17 -17.38 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.78 -51.74 73.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.66 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.3 Cg_endo -74.97 -28.49 9.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 102' ' ' VAL . . . -64.21 -30.53 71.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -28.85 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.66 HG22 ' HA ' ' A' ' 104' ' ' PRO . 1.5 tp -106.64 26.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.3 -51.46 34.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.08 -42.09 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.541 1.811 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.499 ' CB ' ' CD1' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -46.04 -52.66 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.338 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -37.75 -55.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.618 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 1.1 pt -93.58 107.85 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 167.57 127.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -68.78 72.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 115' ' ' LEU . 4.3 pp -161.18 133.23 4.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.1 Cg_endo -74.97 146.66 33.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.493 ' CB ' HG13 ' A' ' 90' ' ' VAL . . . -128.12 -173.1 2.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.85 ' HD3' ' HB3' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -140.18 160.62 39.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -141.72 116.03 6.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.0 133.72 16.92 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 145' ' ' LEU . 10.8 mm -82.01 148.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.583 ' CG2' HG22 ' A' ' 124' ' ' VAL . 16.7 m -101.88 115.04 29.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.088 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 123' ' ' VAL . 65.8 t -114.23 46.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.583 HG22 ' CG2' ' A' ' 122' ' ' THR . 19.7 m -125.57 162.33 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.59 -162.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.18 133.96 56.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -73.83 -20.81 60.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.11 76.3 10.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.33 -41.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.568 HD13 ' O ' ' A' ' 122' ' ' THR . 55.4 mt -51.44 -70.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.595 1.184 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 134' ' ' THR . 3.6 t -39.52 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.461 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 130' ' ' ILE . . . -69.82 -51.15 25.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -63.91 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.338 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 131' ' ' THR . 4.8 t -40.07 -50.65 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.446 ' N ' HG23 ' A' ' 134' ' ' THR . 10.0 mt -41.39 -53.13 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -113.98 47.6 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER -36.6 -38.72 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.4 m 172.28 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.49 96.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 117.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 86.2 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -81.98 144.86 24.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 1.4 t-80 -40.25 -53.33 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 0.819 . . . . 0.0 109.571 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.85 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . . . -153.98 -171.09 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -166.91 105.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 6.9 mt -133.16 144.57 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.535 ' HE ' HG21 ' A' ' 123' ' ' VAL . 6.8 ptp85 -47.55 157.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.46 HD13 ' H ' ' A' ' 149' ' ' SER . 0.1 OUTLIER -153.11 152.4 31.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.46 ' H ' HD13 ' A' ' 148' ' ' LEU . 4.1 t -148.31 148.55 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.46 -75.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 154' ' ' GLU . 23.8 m -71.89 81.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -52.1 89.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 152' ' ' THR . 1.8 mm-40 -56.21 -50.8 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.41 ' O ' HD21 ' A' ' 148' ' ' LEU . . . -137.79 71.85 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.54 -12.55 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.12 -17.86 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 26.7 m -87.86 -4.99 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 159' ' ' LEU . 0.1 OUTLIER -105.64 -30.05 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.524 ' HG3' HD11 ' A' ' 27' ' ' LEU . 7.0 ttm180 -61.48 -34.96 76.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -55.02 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -43.82 -40.02 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.803 HD11 HG21 ' A' ' 10' ' ' VAL . 3.1 mm? -70.9 -45.5 64.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 53.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.58 -45.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 28.9 p -75.55 -14.44 60.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.079 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.7 114.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -84.4 155.0 30.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 170' ' ' HIS . 1.9 pp -50.96 175.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.429 ' HB2' HD12 ' A' ' 169' ' ' ILE . 2.4 t-80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -113.9 169.83 8.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.66 -177.79 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 113.3 1.02 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.458 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -178.0 132.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 111.017 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.666 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -65.2 -174.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.19 131.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.326 1.016 . . . . 0.0 109.375 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 90' ' ' VAL . 59.5 t -90.32 151.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 12' ' ' ILE . 71.2 mt -142.16 69.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.57 -167.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.88 -170.5 16.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.67 157.7 38.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 142.07 27.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 72.42 71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.04 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' SER . . . -179.02 -124.51 0.88 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.7 -75.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' GLY . 99.8 p -50.26 -31.47 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -83.14 -48.96 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -48.96 -66.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -41.11 -60.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -47.81 -50.74 25.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 156' ' ' VAL . . . -51.31 -48.18 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.32 53.38 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.74 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 -56.07 0.71 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -61.06 143.97 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -60.06 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 148.86 28.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 25' ' ' ASN . . . -116.45 125.87 52.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mt -125.12 110.69 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.68 138.57 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.8 p -112.5 129.78 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -99.31 78.96 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.738 ' H ' HD13 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -123.26 140.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.01 54.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -141.67 126.78 3.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -84.9 93.45 8.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 0.741 . . . . 0.0 110.434 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.3 p -46.12 145.12 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -48.44 68.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.724 ' CB ' HG23 ' A' ' 72' ' ' VAL . 2.5 p30 -66.4 -17.86 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.1 p 47.69 30.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.964 HD12 HG23 ' A' ' 62' ' ' THR . 0.2 OUTLIER -123.28 65.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 13.39 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.48 42.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.8 t60 50.14 -172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 0.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.756 ' HB ' HD12 ' A' ' 60' ' ' ILE . 4.0 pt -144.53 83.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -42.68 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.619 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 52' ' ' ILE . 9.0 tp -125.95 102.11 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.626 1.204 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.03 96.74 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.69 -75.63 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.75 147.9 60.27 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.454 0.738 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -38.46 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.08 90.61 0.86 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.484 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -176.55 90.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 109.637 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.35 130.31 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.756 HD12 ' HB ' ' A' ' 50' ' ' ILE . 59.3 mt -109.52 165.92 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.543 ' HA ' HD13 ' A' ' 46' ' ' LEU . 11.3 m-20 -139.6 131.75 28.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.964 HG23 HD12 ' A' ' 46' ' ' LEU . 78.4 p -114.09 50.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.458 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.09 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 88.44 20.27 49.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -171.8 177.31 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.86 -21.09 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.43 -48.93 8.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.99 -4.55 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -77.69 -52.65 8.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.57 -43.71 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.21 -47.3 62.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.724 HG23 ' CB ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -72.4 -21.01 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.14 49.17 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -167.64 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.42 27.14 21.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.7 mt 44.87 86.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.23 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -155.73 160.45 40.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.245 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.97 168.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.247 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.13 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -101.81 -175.4 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 108.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.88 -175.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.27 156.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 72' ' ' VAL . 97.0 mt 64.34 151.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 86' ' ' GLN . 38.1 tt0 -136.07 -62.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.5 mt-30 166.13 145.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' A' ' 9' ' ' LYS . . . -77.48 161.73 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.45 42.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.536 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -175.66 126.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 116' ' ' PRO . 7.3 p -130.63 99.1 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.718 HD21 HD22 ' A' ' 159' ' ' LEU . 1.2 tp -77.33 89.14 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.468 ' O ' HD13 ' A' ' 119' ' ' LEU . 1.1 t80 -88.78 105.59 17.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.42 ' HE3' ' HB2' ' A' ' 93' ' ' MET . 3.0 ptm -96.22 162.03 13.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.568 HG22 ' HG2' ' A' ' 120' ' ' PRO . 35.5 m -136.47 176.24 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 2.9 t0 -119.3 114.74 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASP . . . 36.97 -150.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 129' ' ' ASP . 10.6 t -83.8 2.45 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 p -78.82 87.25 4.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 m -104.28 69.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -166.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.69 37.34 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.7 p -116.73 -35.67 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.568 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.13 -48.68 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -75.01 -2.83 13.05 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -102.88 -9.17 20.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.94 -0.37 14.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 139' ' ' GLU . 4.0 tt -92.75 -7.45 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.471 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -64.98 -55.74 25.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.0 Cg_endo -75.02 55.57 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -169.3 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.603 ' CE1' HG23 ' A' ' 140' ' ' VAL . 13.3 t80 -39.67 -41.74 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -101.33 113.21 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 172.15 -178.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -105.42 -18.14 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 89' ' ' ARG . 1.5 pt? -81.65 141.91 48.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.553 ' O ' HG12 ' A' ' 90' ' ' VAL . 18.8 Cg_endo -74.92 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.13 130.81 18.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.439 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -103.33 124.11 48.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 92' ' ' PHE . 3.3 mm? -116.49 134.46 22.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.568 ' HG2' HG22 ' A' ' 94' ' ' VAL . 18.5 Cg_endo -74.98 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.43 HD11 ' O ' ' A' ' 145' ' ' LEU . 57.2 mt -141.74 -49.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.416 HG22 ' CG1' ' A' ' 124' ' ' VAL . 2.5 m 69.64 74.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.634 1.209 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 124' ' ' VAL . 9.1 p -56.62 -56.18 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.555 ' N ' HG13 ' A' ' 123' ' ' VAL . 17.8 m 34.15 -147.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.208 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.461 ' N ' HG23 ' A' ' 124' ' ' VAL . 6.6 mtt85 -61.57 114.42 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.543 ' HA ' HG21 ' A' ' 130' ' ' ILE . 2.1 p-10 -69.72 59.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -78.59 -173.71 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.21 55.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.514 ' CG ' HG21 ' A' ' 97' ' ' THR . 30.8 m-20 -149.97 -45.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.543 HG21 ' HA ' ' A' ' 126' ' ' ASN . 1.0 OUTLIER -39.32 -33.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.419 ' N ' ' C ' ' A' ' 129' ' ' ASP . 6.7 m -83.66 -52.68 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.33 -11.56 34.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 129' ' ' ASP . 25.2 tp10 -99.22 -52.94 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -41.63 -43.4 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -31.55 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.75 -42.83 53.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 61.76 3.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.47 43.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 5.1 pt-20 -102.65 102.82 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.603 HG23 ' CE1' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 72.33 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -81.76 114.02 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.95 -110.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.85 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 0.731 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.564 ' HB1' HD12 ' A' ' 146' ' ' ILE . . . -109.74 -34.8 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.43 ' O ' HD11 ' A' ' 121' ' ' ILE . 28.8 mt 45.87 71.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.564 HD12 ' HB1' ' A' ' 144' ' ' ALA . 42.7 mt -129.72 147.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 168.81 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.233 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.32 -177.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.44 156.58 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.04 -84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -61.55 -71.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 152' ' ' THR . 32.6 m -72.32 60.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.448 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -54.14 98.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.33 -51.37 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.519 ' O ' HG22 ' A' ' 158' ' ' VAL . . . -127.23 73.92 0.44 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.599 HG11 ' HB1' ' A' ' 26' ' ' ALA . 6.1 t -95.45 -23.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 160' ' ' ARG . 3.1 p30 -73.39 -44.15 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 155' ' ' GLY . 28.0 m -40.3 -42.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.718 HD22 HD21 ' A' ' 91' ' ' LEU . 1.5 mt -68.06 -47.32 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.0 OUTLIER -51.28 -55.78 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -50.41 -44.06 54.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.423 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 46.5 m-70 -94.2 50.19 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.24 -50.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.62 1.2 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -14.75 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.92 -32.39 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -65.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.434 ' HB3' ' CB ' ' A' ' 8' ' ' MET . 3.0 mmm -146.07 157.63 43.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -171.13 -46.48 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -35.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 71.8 147.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.3 119.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.96 175.89 20.57 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.444 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER 175.1 -176.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -120.08 160.12 23.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.237 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG21 HD11 ' A' ' 163' ' ' LEU . 7.7 p -136.13 108.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.597 HG13 HG22 ' A' ' 90' ' ' VAL . 8.7 p -88.8 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.809 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -133.38 129.95 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.65 130.65 53.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.54 143.55 8.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.26 157.12 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.43 5.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.817 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.643 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 169.63 164.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 79.9 58.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 -107.43 2.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptm 71.58 -77.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.407 0.71 . . . . 0.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -72.97 -35.95 67.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.466 ' HB3' ' HB1' ' A' ' 150' ' ' ALA . 0.5 OUTLIER -47.45 -55.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.508 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.83 -40.29 79.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.832 HD21 ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -48.54 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.52 -66.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB1' HG21 ' A' ' 156' ' ' VAL . . . -45.16 -53.77 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.73 -59.47 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ARG . . . 112.52 -50.8 0.74 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 6.9 mtt180 -38.86 112.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -38.87 -58.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.56 99.48 10.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.44 168.25 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.03 127.22 67.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.94 127.15 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.8 p -125.64 120.38 30.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.396 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 105.52 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.583 HD13 ' N ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -168.28 145.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.583 ' N ' HD13 ' A' ' 38' ' ' ILE . . . -83.7 60.49 5.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.96 -44.85 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 41' ' ' THR . 52.0 m 51.48 49.24 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.436 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.3 142.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -12.17 60.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.61 -2.69 54.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.701 HG11 ' O ' ' A' ' 63' ' ' ALA . 69.8 t 66.56 -68.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' ASP . 12.1 tp -38.36 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.38 17.36 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.832 ' HA ' HD21 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -125.02 52.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.8 m80 45.41 -169.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 tp -123.14 144.02 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -105.21 101.08 10.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.95 121.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -55.83 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.92 27.51 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.21 162.71 21.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.73 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.11 37.68 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -117.14 102.06 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.58 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.54 143.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 8.2 mt -124.06 -66.36 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 60' ' ' ILE . 1.5 m-20 81.52 97.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 53.7 m -45.79 -48.91 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.063 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.701 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 61.5 -162.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.77 -85.74 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.39 137.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 mtt85 61.21 -90.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 72' ' ' VAL . . . -47.34 -33.93 6.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.7 m -81.34 52.31 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -166.67 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -33.24 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.635 HG11 ' HB2' ' A' ' 63' ' ' ALA . 13.8 m -64.65 -17.53 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.178 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.57 -34.17 12.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -70.31 -44.76 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.96 -40.21 88.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 77' ' ' ILE . . . -86.7 6.54 82.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.405 ' CG1' ' C ' ' A' ' 76' ' ' GLY . 1.2 pt 39.82 85.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -161.01 87.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.05 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.66 -54.69 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.16 103.34 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -93.12 -75.83 0.49 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -174.64 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER 62.13 141.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -102.86 170.8 7.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.115 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -102.82 128.6 49.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.33 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.87 54.07 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 175.73 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.682 HG11 ' HG2' ' A' ' 110' ' ' GLU . 53.4 t -103.0 134.49 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 118' ' ' LYS . 14.9 tp -137.61 113.96 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.17 122.91 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.71 154.96 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -149.68 142.95 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -66.93 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.31 -75.2 0.2 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.726 ' O ' HG22 ' A' ' 97' ' ' THR . 3.2 m -103.76 41.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 0.81 . . . . 0.0 110.389 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.3 p -123.05 141.56 51.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -141.9 146.46 35.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -167.2 -167.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.94 17.46 24.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.25 -29.33 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.587 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.79 -47.7 3.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.186 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.1 -11.32 21.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.85 59.33 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.4 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 0.9 OUTLIER 171.96 -32.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.41 ' CG1' ' HA ' ' A' ' 104' ' ' PRO . 2.3 pp -77.68 -39.58 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -56.99 -59.74 11.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.046 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.682 ' HG2' HG11 ' A' ' 90' ' ' VAL . 1.2 tp10 -146.97 -60.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.509 ' HB2' HG21 ' A' ' 140' ' ' VAL . 3.3 t80 -37.1 -40.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 41.8 mm -69.29 78.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.743 ' HB1' HD21 ' A' ' 115' ' ' LEU . . . -172.92 162.52 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.88 61.14 1.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.743 HD21 ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -156.02 142.03 12.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.3 Cg_endo -75.05 142.39 27.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.72 120.32 21.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.418 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 1.4 mtmm -84.11 170.64 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.7 tp -141.39 117.19 7.25 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.2 Cg_endo -75.01 131.48 14.33 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 134' ' ' THR . 27.3 mm -109.34 137.38 41.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.433 ' O ' HD13 ' A' ' 130' ' ' ILE . 14.8 t -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 123' ' ' VAL . 7.3 p -149.16 42.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.689 HG22 ' HD3' ' A' ' 125' ' ' ARG . 11.8 p -85.29 78.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.689 ' HD3' HG22 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 35.48 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 125' ' ' ARG . 15.7 t-20 -50.18 -72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.517 ' HB3' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 39.93 83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 44.42 27.28 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER 64.68 128.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.8 ' O ' HD12 ' A' ' 130' ' ' ILE . 1.8 pp -106.4 54.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.232 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.3 m -140.61 -63.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -38.75 -49.94 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.97 -49.3 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.469 HG23 HD12 ' A' ' 121' ' ' ILE . 11.0 m -39.85 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.78 -15.59 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.64 -45.72 82.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.1 ptp -86.12 60.8 6.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.5 p -103.63 36.45 2.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -42.91 -54.57 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 111' ' ' PHE . 54.0 t -121.9 146.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -63.92 79.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -48.13 135.23 17.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -43.9 -49.88 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.507 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.08 167.96 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 46.2 mt -126.27 110.79 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 13.0 mm -136.18 139.27 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -80.26 148.14 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.1 tp -132.06 136.31 47.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.508 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 28.8 t -109.54 -33.88 6.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.952 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 72.35 -61.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -41.15 -62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 5.4 t -107.99 17.39 22.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 39.92 68.44 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -121.12 42.49 1.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.448 HG21 ' HB1' ' A' ' 26' ' ' ALA . 2.2 p -70.76 -11.5 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.53 -29.57 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 33.4 t -66.2 -37.54 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 16.3 mt -91.84 21.6 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -123.79 -41.93 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -70.37 -57.08 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.66 -27.19 68.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 10' ' ' VAL . 2.8 tt -67.88 -49.37 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.05 -25.59 65.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.183 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -45.55 61.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 13.9 t -49.66 -44.53 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.1 mtm -52.68 104.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 -177.05 21.97 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 5.7 mt -64.85 144.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.61 141.22 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.0 170.34 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 120.97 0.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.25 163.28 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.857 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -109.51 157.24 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.716 HG11 HD21 ' A' ' 163' ' ' LEU . 9.8 p -143.3 145.96 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.734 HG13 HG22 ' A' ' 90' ' ' VAL . 8.0 p -117.26 147.87 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.434 HD12 ' OE1' ' A' ' 48' ' ' GLU . 2.9 mt -129.0 73.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.59 160.38 28.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.94 168.57 24.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.56 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -71.07 155.87 92.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.12 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.44 75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.062 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . . . -152.15 -48.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.5 68.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -116.19 -40.22 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -67.43 -55.65 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m -57.75 -44.61 86.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -48.25 73.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -50.44 -49.92 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -44.2 -53.73 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.8 -60.15 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.753 HD11 ' CD1' ' A' ' 163' ' ' LEU . 1.2 tt -76.36 69.56 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . 178.09 -65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.48 -117.67 2.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 39.27 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -40.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -62.38 -72.73 0.12 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 71.01 95.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -124.92 123.89 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -110.66 152.56 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.2 p -106.61 136.99 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -97.76 71.99 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.9 153.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.34 -43.89 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.31 127.68 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 p -77.32 111.92 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.0 m -63.6 113.31 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -56.5 -39.97 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -63.87 -14.11 50.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 44' ' ' ASP . 25.4 t 67.74 -60.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 60' ' ' ILE . 14.1 tp -38.32 98.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -138.26 14.99 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' OE1' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -118.79 53.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 46.47 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.629 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.729 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -135.51 88.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -51.46 99.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.578 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 55' ' ' MET . 2.4 mp -63.6 -83.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 3.2 t70 77.35 -60.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.61 -96.46 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.766 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -115.83 159.38 39.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.767 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.21 2.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.454 1.765 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 72.91 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -156.35 117.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.582 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.67 122.72 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.541 ' O ' HD22 ' A' ' 46' ' ' LEU . 10.2 mt -109.63 152.39 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.83 112.94 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.857 HG22 ' HB2' ' A' ' 9' ' ' LYS . 75.8 p -83.92 67.63 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' CB ' HG21 ' A' ' 84' ' ' ILE . . . -54.0 174.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.33 -58.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.579 1.174 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.9 165.44 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.384 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.57 -51.1 64.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.74 -62.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -46.25 -57.99 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.47 -32.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -89.78 -49.95 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.55 -50.64 52.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 68' ' ' ALA . 25.9 m -54.65 -49.54 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' N ' HG23 ' A' ' 72' ' ' VAL . 5.7 mm-40 -57.7 -24.51 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.365 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -75.48 -34.57 60.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.236 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.1 mm -75.89 -31.04 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.13 8.05 80.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.514 ' O ' HG22 ' A' ' 77' ' ' ILE . 28.0 mm 50.14 63.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -174.44 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.67 156.36 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.75 -58.32 8.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -91.86 114.6 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -166.43 134.33 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -69.8 144.37 52.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.412 HG21 ' CB ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -142.13 128.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.234 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.55 154.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.69 175.84 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.3 135.27 38.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.889 ' C ' HD12 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -122.61 -54.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 166' ' ' SER . 58.2 mtt180 -125.87 137.35 53.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.734 HG22 HG13 ' A' ' 11' ' ' VAL . 3.0 t -111.03 148.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.52 HD22 ' C ' ' A' ' 90' ' ' VAL . 1.6 mm? -114.74 68.98 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CE1' HG12 ' A' ' 107' ' ' ILE . 5.3 t80 -62.83 107.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 mmt -98.3 121.61 40.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 96' ' ' GLY . 20.9 t -131.72 135.1 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.58 -36.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.703 ' H ' HG12 ' A' ' 94' ' ' VAL . . . 81.85 29.25 39.24 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.7 m -155.81 -47.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 98' ' ' THR . 3.7 t -97.58 117.97 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.9 m -111.38 71.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 110.393 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.33 178.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.58 3.82 42.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 23.7 t -99.39 -30.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -54.1 -51.68 75.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.05 -11.48 21.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -75.54 -9.05 58.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.71 8.23 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -109.6 -34.64 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.213 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.472 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.77 -56.57 9.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 109' ' ' PRO . 3.3 mt-10 -166.63 -50.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.353 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -39.73 -46.59 1.91 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.736 ' C ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -84.45 96.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.87 -164.4 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.3 51.96 1.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.889 HD12 ' C ' ' A' ' 88' ' ' ASP . 0.3 OUTLIER -151.87 142.68 15.32 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 158.58 41.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.51 164.56 27.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -115.26 145.46 42.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.37 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 145' ' ' LEU . 0.3 OUTLIER -144.36 118.56 5.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.3 Cg_endo -74.96 147.3 33.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 122' ' ' THR . 12.6 mm -75.24 -125.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.645 HG23 ' HB ' ' A' ' 130' ' ' ILE . 1.5 t -177.35 138.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.442 ' HA ' ' CD1' ' A' ' 130' ' ' ILE . 11.1 p -148.74 36.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.9 m -112.88 175.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.49 -161.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -61.46 -178.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -94.91 -50.99 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.8 75.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.15 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.645 ' HB ' HG23 ' A' ' 122' ' ' THR . 3.4 pt -93.09 22.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -115.61 -49.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.64 -66.55 2.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -42.04 -42.92 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 0.808 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -47.06 -80.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.452 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.85 -41.06 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.47 -45.25 29.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 95.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.9 t -149.76 52.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -62.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.27 147.44 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -46.79 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 64.13 145.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -96.21 -54.94 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.612 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -107.67 150.14 27.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 119' ' ' LEU . 4.0 mt -143.44 60.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 9.8 mm -122.32 135.93 60.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.431 ' HA ' ' CB ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -70.63 179.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 110.345 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.59 HD13 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER 179.81 154.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 153' ' ' GLY . 6.0 p -133.66 100.91 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.012 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -43.49 -60.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 10.0 t -126.91 15.97 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 50.61 71.55 0.62 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -60.75 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.2 69.45 0.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.493 HG22 HD11 ' A' ' 148' ' ' LEU . 39.0 t -88.68 -32.08 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.16 47.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.59 HD12 HD13 ' A' ' 148' ' ' LEU . 7.3 mt -152.4 -48.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -19.69 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 164' ' ' LYS . 63.5 m-20 -71.66 -70.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.437 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 4.8 m80 -40.07 -48.72 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.753 ' CD1' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.55 -48.04 48.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 161' ' ' ASN . 0.0 OUTLIER -87.12 47.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -145.67 -46.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.241 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 89' ' ' ARG . 60.1 p -70.12 -22.16 63.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -58.76 132.74 54.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -98.55 158.38 20.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 pt -76.95 96.7 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.556 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.4 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.22 132.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 168' ' ' GLY . 0.0 OUTLIER -120.83 166.44 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.2 115.16 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.481 ' CB ' ' HB3' ' A' ' 167' ' ' MET . 0.0 OUTLIER 176.87 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.891 ' HB3' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -107.22 -162.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 9' ' ' LYS . 1.4 m -150.75 -174.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.683 HG12 HG22 ' A' ' 90' ' ' VAL . 9.4 p -135.05 128.74 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.774 HG22 ' HG ' ' A' ' 91' ' ' LEU . 2.6 pp -129.9 113.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.03 159.36 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.01 -166.14 33.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 135.55 1.36 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.68 33.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.1 t30 42.19 64.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.98 32.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' HD13 ' A' ' 23' ' ' LEU . . . 95.27 60.57 1.05 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.112 . . . . 0.0 111.046 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 -64.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 0.811 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -59.58 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.87 -37.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 150' ' ' ALA . 0.4 OUTLIER -60.93 -56.88 15.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.393 1.058 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -48.01 -54.38 13.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -43.1 -50.62 6.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.7 -58.94 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 163' ' ' LEU . 5.0 tp -50.99 -66.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -45.92 -59.08 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.31 59.41 7.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -115.58 115.42 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.384 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -39.28 111.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.84 90.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.28 -178.93 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 34' ' ' ILE . 1.9 tt -138.63 110.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.193 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.0 133.33 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 p -112.11 173.02 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -131.02 81.93 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.518 HG21 ' HD2' ' A' ' 47' ' ' ARG . 10.7 tp -61.18 143.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.27 -58.38 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.75 38.91 3.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 42' ' ' THR . 1.7 m 42.6 -157.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 0.736 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.533 ' H ' HG22 ' A' ' 41' ' ' THR . 54.6 m -141.34 141.67 33.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.9 84.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.588 ' HB3' HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -76.41 -4.83 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 44' ' ' ASP . 7.7 p 43.22 31.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -107.63 76.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.518 ' HD2' HG21 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -112.72 11.47 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' HIS . 25.5 mm-40 -106.7 23.64 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLU . 60.8 m80 46.65 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.535 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.762 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -139.46 149.16 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.471 ' CE1' ' NH2' ' A' ' 160' ' ' ARG . 6.7 t-80 -125.75 140.93 52.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 tp -142.71 97.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.07 95.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.7 -128.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.64 120.17 5.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.25 14.96 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.9 70.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -157.21 135.22 10.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.5 mm -139.75 114.47 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 61' ' ' ASP . 9.3 mt -95.46 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.611 ' OD1' HD11 ' A' ' 84' ' ' ILE . 3.5 p-10 -144.67 148.71 34.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.891 HG22 ' HB3' ' A' ' 9' ' ' LYS . 43.3 p -110.72 69.0 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.467 ' HA ' HG21 ' A' ' 72' ' ' VAL . . . -51.61 -96.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 55.01 19.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.24 163.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -24.74 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -93.3 -49.43 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -55.76 -39.27 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.619 1.199 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -47.55 -33.56 6.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -80.61 -67.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.85 -23.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 68' ' ' ALA . 4.7 t -67.5 -43.56 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -36.64 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -66.65 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -23.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.97 4.82 84.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm 50.94 64.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.09 -178.68 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' TRP . 2.3 mtm180 -97.43 134.58 40.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 66.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.383 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -155.36 -53.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -46.08 128.98 9.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -56.29 178.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.611 HD11 ' OD1' ' A' ' 61' ' ' ASP . 5.2 tp -155.73 119.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.15 132.19 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -88.28 156.49 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.92 171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.499 ' OD1' ' CE ' ' A' ' 167' ' ' MET . 41.9 m-20 -156.88 -53.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.8 tpt85 -100.93 148.77 24.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.683 HG22 HG12 ' A' ' 11' ' ' VAL . 91.8 t -139.8 161.79 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.774 ' HG ' HG22 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.4 103.69 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 35.3 p90 -107.42 107.85 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 150.97 43.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.85 130.06 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.27 103.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.211 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.82 -128.44 1.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.864 HG23 HG21 ' A' ' 122' ' ' THR . 37.5 p -110.99 78.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.8 p -123.11 121.21 35.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -107.27 107.12 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.31 176.73 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.9 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.9 p -94.46 2.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.53 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.66 -51.19 3.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.99 1.02 8.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.446 1.761 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -47.8 -31.03 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -149.15 57.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' A' ' 104' ' ' PRO . 62.8 mt -131.11 -61.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.502 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.4 OUTLIER -40.92 -53.92 5.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -160.76 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' ALA . 6.8 mm-40 68.3 -68.74 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.551 ' CG ' HG11 ' A' ' 140' ' ' VAL . 7.7 t80 -46.71 -26.22 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.3 pt -68.44 -39.16 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.673 ' HB3' ' CD2' ' A' ' 115' ' ' LEU . . . -63.31 -172.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 114' ' ' ARG . 4.0 ttm105 -101.57 66.77 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.673 ' CD2' ' HB3' ' A' ' 113' ' ' ALA . 2.2 pt? -169.7 112.71 0.49 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.84 42.97 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.26 147.89 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.881 ' HG2' ' HB3' ' A' ' 144' ' ' ALA . 17.1 mttp -83.73 156.92 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.584 HD23 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -116.81 131.17 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.584 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.99 162.77 36.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.556 HD13 HG23 ' A' ' 134' ' ' THR . 1.2 mm -133.85 122.93 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.864 HG21 HG23 ' A' ' 97' ' ' THR . 9.9 t -78.13 140.96 39.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.8 p -148.07 51.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 125' ' ' ARG . 1.6 p -145.65 -169.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.692 ' H ' HG22 ' A' ' 124' ' ' VAL . 7.4 ptp180 41.45 -161.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.74 174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -101.98 -35.76 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.57 50.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.63 -45.97 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.57 ' HA ' HG23 ' A' ' 122' ' ' THR . 4.3 mt -45.16 -32.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' GLY . 13.1 t -102.9 -24.69 13.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' THR . . . -35.66 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.4 49.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.556 HG23 HD13 ' A' ' 121' ' ' ILE . 47.2 m -115.9 -49.98 2.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -39.41 20.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -88.21 42.84 3.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.97 81.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' GLU . 0.5 OUTLIER -43.5 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.969 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 140' ' ' VAL . 0.6 OUTLIER 37.93 84.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.794 HG23 ' N ' ' A' ' 141' ' ' ASN . 1.1 m 38.23 -157.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASN . . . . . 0.794 ' N ' HG23 ' A' ' 140' ' ' VAL . 4.4 p-10 -104.11 101.17 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.32 144.7 32.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.108 . . . . 0.0 110.961 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -102.18 -37.33 8.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.624 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.881 ' HB3' ' HG2' ' A' ' 118' ' ' LYS . . . -143.51 122.66 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.445 HD22 ' HB2' ' A' ' 119' ' ' LEU . 2.1 mm? -111.48 79.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.495 ' CD1' ' HB1' ' A' ' 144' ' ' ALA . 3.4 mp -115.6 162.5 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 146' ' ' ILE . 0.2 OUTLIER -120.14 170.03 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -173.9 154.01 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 151' ' ' ARG . 11.8 t -115.7 -0.14 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.502 ' HB2' HD12 ' A' ' 23' ' ' LEU . . . 64.77 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.2 OUTLIER -39.95 -50.6 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 11.1 m -83.13 -60.88 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.63 39.84 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 154' ' ' GLU . 4.7 pt-20 -81.99 67.59 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.03 59.77 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' LEU . 54.0 t -116.16 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.59 58.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.401 ' H ' HG12 ' A' ' 158' ' ' VAL . 2.3 p -58.51 -24.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 156' ' ' VAL . 0.7 OUTLIER -91.43 -34.22 14.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.471 ' NH2' ' CE1' ' A' ' 51' ' ' HIS . 25.8 ttt180 -62.59 -26.49 68.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -74.67 -42.15 58.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -70.31 -11.57 61.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.524 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 91' ' ' LEU . 1.1 mp -91.02 8.25 36.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.05 -46.7 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -33.6 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 6.0 p -46.7 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.499 ' CE ' ' OD1' ' A' ' 88' ' ' ASP . 4.3 tpp -135.05 115.2 13.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' GLU . . . -113.41 -84.73 1.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.7 mt -41.39 120.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 106.9 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -176.94 6.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.02 134.89 3.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttp -173.69 142.66 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CD ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -101.36 162.96 12.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.6 p -127.6 158.7 38.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.199 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.676 HG13 HG23 ' A' ' 90' ' ' VAL . 10.8 p -120.41 138.55 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -132.5 77.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.78 156.99 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.33 160.73 10.0 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 102' ' ' VAL . 15.6 ttt180 -42.37 135.2 2.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.05 6.47 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 51.86 36.56 18.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.44 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.34 53.24 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.544 1.153 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.584 ' O ' HD13 ' A' ' 24' ' ' LEU . 7.9 pttt -98.16 -33.87 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -43.84 80.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB3' ' HB1' ' A' ' 150' ' ' ALA . 14.5 m -57.46 -61.51 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 2.9 tm? -53.8 -40.54 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -41.91 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 26' ' ' ALA . 2.2 p-10 -49.72 -48.9 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.55 ' HB1' HG21 ' A' ' 156' ' ' VAL . . . -43.29 -49.79 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -89.23 68.54 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.07 -59.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.58 -44.85 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.679 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -45.99 114.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.2 mm-40 -38.39 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -79.46 -78.01 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' HB2' ' HB3' ' A' ' 30' ' ' ARG . . . 73.84 -175.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 tp -140.67 143.58 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.682 ' O ' HG22 ' A' ' 36' ' ' THR . 5.1 p -159.17 164.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.723 HG23 ' N ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 82.95 -168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.723 ' N ' HG23 ' A' ' 36' ' ' THR . 5.9 m-20 60.04 41.63 17.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 mm -124.92 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.15 111.51 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 41' ' ' THR . . . 106.75 6.34 35.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' GLY . 5.6 p 43.09 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.573 HG23 ' H ' ' A' ' 44' ' ' ASP . 4.9 t -113.83 179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.066 . . . . 0.0 110.459 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 42' ' ' THR . 0.0 OUTLIER -92.88 8.74 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.573 ' H ' HG23 ' A' ' 42' ' ' THR . 77.2 m-20 -127.92 5.92 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.665 HG13 HG23 ' A' ' 62' ' ' THR . 14.8 p 39.31 32.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 61' ' ' ASP . 4.1 tp -120.36 73.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -113.0 -3.24 14.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.07 29.65 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 t-80 55.96 -155.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.556 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.58 HD13 ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -167.53 108.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.58 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -57.53 141.57 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.684 HG21 ' HA ' ' A' ' 56' ' ' PRO . 2.1 pp -96.57 -42.62 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.583 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER 70.13 -62.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' HD12 ' A' ' 52' ' ' ILE . . . -90.58 -99.68 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.64 128.94 44.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.684 ' HA ' HG21 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.0 62.98 5.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -171.75 88.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.96 137.87 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.41 146.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 9.3 mm -130.14 -70.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.751 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER 65.14 103.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.665 HG23 HG13 ' A' ' 45' ' ' VAL . 2.9 t -86.68 116.05 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.46 -96.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 25.68 56.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tp -162.64 169.73 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -32.94 32.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 1.69 49.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -32.89 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -50.45 71.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -67.97 -24.42 65.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.81 -31.98 31.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.686 HG13 ' HB3' ' A' ' 61' ' ' ASP . 2.2 t -71.23 -31.28 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 81' ' ' TRP . 7.3 pt-20 -95.33 39.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 -46.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.5 tp -57.78 -29.06 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.39 11.24 59.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 9.5 mm 43.59 79.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 0.735 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -147.09 86.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 78' ' ' GLU . 0.6 OUTLIER 43.47 -166.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.09 54.49 1.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.425 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -176.38 69.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.065 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.19 151.5 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.88 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 tp -155.33 39.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 45.08 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.351 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.23 176.39 8.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.32 134.2 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.48 12.6 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER 175.19 135.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.763 HG21 ' OE1' ' A' ' 110' ' ' GLU . 4.0 p -125.9 147.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.74 102.43 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.491 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -66.19 -164.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.7 mmm -137.14 -76.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 95' ' ' ASP . 2.0 t 57.51 -175.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.71 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.3 t70 -118.33 -40.36 2.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.67 -54.11 0.77 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 t -127.91 32.32 4.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.566 0.803 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -128.8 142.95 50.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.7 t -134.1 137.78 44.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.86 -168.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.09 -23.38 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -95.52 -8.78 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.512 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.33 -52.13 4.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.1 Cg_endo -75.07 -20.11 17.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.33 2.64 43.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.96 -7.66 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -110.55 -12.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.563 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 4.4 m95 -63.47 -50.59 72.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -74.94 2.09 6.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.763 ' OE1' HG21 ' A' ' 90' ' ' VAL . 1.7 mm-40 -101.93 -51.86 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -37.76 -50.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.0 pt -75.59 83.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.38 161.28 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.44 -10.23 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 153.64 85.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.65 20.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -118.13 159.07 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -136.58 129.02 30.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 92' ' ' PHE . 1.7 mm? -115.08 119.69 38.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.26 37.72 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.47 99.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.5 m -71.86 155.07 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 123' ' ' VAL . 8.5 p -125.37 98.55 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 125' ' ' ARG . 8.8 p -151.46 169.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.478 ' H ' HG22 ' A' ' 124' ' ' VAL . 8.2 mtt85 54.67 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 125' ' ' ARG . 74.8 m-80 -39.37 144.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -76.71 -16.27 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.33 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -41.17 -55.47 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.815 ' CD1' HG21 ' A' ' 134' ' ' THR . 0.0 OUTLIER -84.22 86.27 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.629 HG22 ' N ' ' A' ' 132' ' ' GLY . 0.9 OUTLIER 174.63 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 131' ' ' THR . . . -53.66 -34.31 50.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -51.08 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.815 HG21 ' CD1' ' A' ' 130' ' ' ILE . 25.2 p -45.88 -53.74 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.7 -52.33 21.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.218 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -44.48 -47.98 8.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.2 ttt -58.2 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.67 64.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -70.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 142' ' ' GLY . 8.1 p -97.43 147.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.38 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -67.43 116.26 7.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -46.39 -54.71 8.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -147.08 163.26 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.89 119.27 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.7 pt -141.84 164.91 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -77.34 169.55 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.51 152.49 34.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 0.5 OUTLIER -128.57 -44.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 74.05 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -49.59 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 20.0 m -94.67 -43.52 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.97 -86.06 0.37 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.02 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.8 50.83 0.86 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.55 HG21 ' HB1' ' A' ' 26' ' ' ALA . 7.9 p -88.93 -8.08 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.34 -22.69 12.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.24 -65.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 4.1 pp -56.46 -26.51 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.495 ' HG3' HD12 ' A' ' 27' ' ' LEU . 5.4 ttt180 -68.58 -29.29 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -85.0 0.34 51.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.418 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 30.9 m80 -108.98 14.73 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.539 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -103.61 -43.51 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.375 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -63.07 -30.17 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -72.54 -43.2 63.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.36 79.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 61.3 mtp -40.83 121.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -89.56 146.68 19.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.06 104.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 20.4 t60 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.647 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -142.43 136.96 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -115.39 154.86 28.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.21 162.95 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 0.732 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -127.01 116.82 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 89' ' ' ARG . 51.5 t -100.9 139.83 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.736 HG13 HG22 ' A' ' 90' ' ' VAL . 2.4 p -97.25 123.78 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.593 HD12 ' OE2' ' A' ' 48' ' ' GLU . 79.7 mt -101.99 91.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.44 162.9 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.29 -99.68 0.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.37 156.66 1.21 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 0.717 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.538 1.809 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.79 78.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.28 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.5 53.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HE2' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -105.55 -54.34 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.0 p -76.02 -14.41 60.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -50.67 11.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.6 mt -53.69 -38.22 64.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' ' 48' ' ' GLU . 1.4 mp -39.78 -70.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.47 61.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -165.93 -46.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.66 HD21 ' HB2' ' A' ' 159' ' ' LEU . 2.2 mt -94.82 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.22 -61.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.63 35.57 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' NH1' ' NE2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -83.46 -23.2 32.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.02 -62.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.22 78.78 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.99 -175.91 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 1.051 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -136.65 132.06 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.93 106.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.7 p -86.13 109.91 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.434 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 87.16 4.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 tp -134.32 157.26 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -101.08 -48.64 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.63 93.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' ALA . 3.2 m -45.31 124.37 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -59.62 132.4 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.16 -29.16 60.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.363 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.79 -10.64 58.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 62' ' ' THR . 47.6 t 69.7 -58.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.451 HD11 ' HB ' ' A' ' 50' ' ' ILE . 5.5 tp -37.65 98.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.6 -41.12 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.593 ' OE2' HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -75.08 56.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.438 ' NE2' ' NH1' ' A' ' 30' ' ' ARG . 10.5 t60 41.72 -162.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.451 ' HB ' HD11 ' A' ' 46' ' ' LEU . 2.1 tp -176.19 67.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.06 144.95 52.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.552 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.71 85.95 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 -45.14 -49.62 11.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -37.57 -53.68 1.81 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.54 117.87 0.19 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.62 -48.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -101.1 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -126.17 145.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CG2' ' HD2' ' A' ' 9' ' ' LYS . 6.7 mt -102.55 160.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.593 ' HB3' HG21 ' A' ' 72' ' ' VAL . 29.6 m-20 -111.43 113.69 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.471 HG23 ' HB2' ' A' ' 9' ' ' LYS . 95.8 m -96.53 56.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.05 -168.82 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.69 55.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.31 148.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -47.4 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -58.56 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.32 -56.59 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.592 ' O ' HG12 ' A' ' 72' ' ' VAL . 25.1 t -40.81 -52.42 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.044 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.03 -50.74 53.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -47.42 -47.05 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.213 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 61' ' ' ASP . 9.7 p -72.66 -32.0 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.508 ' HG3' HD11 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -76.48 57.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.5 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.84 -10.32 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.56 24.42 9.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.1 mt 57.35 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.767 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -132.79 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.33 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -50.73 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -175.3 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -146.28 132.62 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -139.14 -69.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' C ' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -175.93 118.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.508 HD11 ' HG3' ' A' ' 73' ' ' GLU . 3.8 mp -136.82 94.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -177.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.03 141.63 45.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.578 ' O ' HD22 ' A' ' 115' ' ' LEU . . . -44.2 135.56 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.03 15.78 21.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.552 ' HB3' HG22 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -158.39 143.14 16.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.736 HG22 HG13 ' A' ' 11' ' ' VAL . 3.8 t -132.02 134.89 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD21 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -118.31 80.49 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.59 171.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.404 ' HA ' ' CG ' ' A' ' 120' ' ' PRO . 10.0 tpt -154.95 131.72 10.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.08 114.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -42.22 135.29 2.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.08 -23.75 2.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.2 p -73.7 -134.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.5 p -86.01 -154.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.6 p -117.54 -120.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.13 -179.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.64 -26.24 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.222 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 t -91.98 1.33 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.499 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -71.51 -52.84 8.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.05 -8.27 19.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.542 1.811 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.87 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.32 19.4 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -105.45 -28.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.479 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -65.78 -55.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 107.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.502 ' HA ' HD11 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.08 63.72 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.17 -61.65 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 140' ' ' VAL . 53.1 p90 -86.78 38.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 109' ' ' PRO . 8.6 pt -129.21 39.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.1 148.69 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -68.51 79.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -174.06 138.48 0.7 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.469 ' CG ' ' NH2' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.06 149.8 36.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -130.05 119.41 23.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.74 ' HB2' ' HB3' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -107.94 143.33 36.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.362 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.42 135.6 27.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.81 ' HB3' HD12 ' A' ' 148' ' ' LEU . 18.3 Cg_endo -74.98 158.07 42.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 122' ' ' THR . 85.6 mt -120.58 166.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.539 HG22 ' H ' ' A' ' 124' ' ' VAL . 98.2 m -69.74 142.11 53.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.435 ' O ' ' HB ' ' A' ' 124' ' ' VAL . 8.9 p -55.22 -16.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.539 ' H ' HG22 ' A' ' 122' ' ' THR . 1.9 t 68.4 134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 166.77 -29.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -132.64 151.92 51.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER 76.39 56.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' LYS . . . 38.4 33.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 127' ' ' LYS . 19.2 m-20 69.5 130.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLY . 2.9 tp -54.21 -18.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.509 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.3 m -35.72 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -67.13 -58.34 8.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -60.34 -62.66 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 135' ' ' LEU . 14.7 t -38.4 -51.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 131' ' ' THR . 9.0 mt -48.79 -49.66 37.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' GLU . . . -83.07 51.41 4.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.2 ttm -157.68 47.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.4 m -103.71 61.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -52.88 5.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.687 HG23 ' HB3' ' A' ' 111' ' ' PHE . 4.4 p -108.92 142.61 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -44.38 100.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -38.01 -57.34 1.68 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 116' ' ' PRO . 6.5 t-80 75.26 -58.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.578 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.74 ' HB3' ' HB2' ' A' ' 118' ' ' LYS . . . -136.14 133.83 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 144' ' ' ALA . 30.7 mt -132.97 90.78 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.38 124.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -54.07 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' A' ' 120' ' ' PRO . 7.5 mt -150.48 163.74 37.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 89.7 p -136.14 -45.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 83.77 -58.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -43.22 -54.72 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 75.6 p -127.62 26.78 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' A' ' 156' ' ' VAL . . . 39.71 85.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' ' 149' ' ' SER . 18.7 tp10 -48.47 -52.7 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 0.735 . . . . 0.0 110.227 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -148.58 47.91 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.581 HG13 ' CA ' ' A' ' 153' ' ' GLY . 34.5 m -54.7 -44.21 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.431 ' OD1' HG23 ' A' ' 158' ' ' VAL . 0.5 OUTLIER -45.82 -55.15 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.431 HG23 ' OD1' ' A' ' 157' ' ' ASP . 53.5 t -41.76 -40.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.66 ' HB2' HD21 ' A' ' 27' ' ' LEU . 46.1 mt -68.31 -50.26 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -51.49 -45.09 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.18 -56.29 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -58.14 -25.47 61.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.577 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.72 43.44 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.47 -48.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -55.03 -46.16 75.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 167' ' ' MET . 89.9 p -59.42 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.401 ' N ' ' OG ' ' A' ' 166' ' ' SER . 10.0 mmt 48.74 -174.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.1 108.03 0.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.09 120.59 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER 82.0 144.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.33 -174.84 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.61 169.96 12.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.484 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER 179.46 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' N ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER 75.65 106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 163' ' ' LEU . 78.6 t -103.0 144.58 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.78 126.03 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.491 HG22 ' HG ' ' A' ' 91' ' ' LEU . 5.8 pt -99.56 94.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.9 124.65 42.42 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.92 156.29 22.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 154.89 83.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.06 145.83 31.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.3 t30 81.81 29.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 95' ' ' ASP . . . -117.12 -40.92 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.8 -93.78 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.405 1.066 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp 52.13 -94.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.3 m -39.33 -58.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -53.11 -44.02 67.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.561 HD13 ' SD ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -61.68 -65.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.614 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.1 tm? -42.61 -52.1 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -43.22 -49.39 6.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.52 -53.54 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -48.9 -66.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.18 -57.35 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.65 47.22 6.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -92.55 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -40.63 -54.97 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -114.66 -68.71 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 77.7 110.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.2 mt -78.95 147.34 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.61 128.18 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -124.78 136.73 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -128.98 81.46 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' ILE . 3.7 tp -111.47 135.52 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.05 63.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.58 124.77 1.61 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -75.25 -7.45 53.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m 59.96 116.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.81 -41.37 95.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -77.48 -1.93 32.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 46' ' ' LEU . 2.7 t 65.69 -71.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.618 HD23 ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -39.34 118.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -150.93 30.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' H ' HD13 ' A' ' 46' ' ' LEU . 1.3 pm0 -137.64 56.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 54.24 171.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.553 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -120.15 96.8 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -54.14 107.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -159.24 124.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -104.1 -30.79 10.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.41 -69.08 0.7 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.85 164.03 35.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.29 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.07 102.19 11.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.51 92.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.41 146.24 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' ASP . 1.9 pt -134.44 -49.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' CB ' HG13 ' A' ' 72' ' ' VAL . 12.4 m-20 60.77 123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.618 ' H ' HD23 ' A' ' 46' ' ' LEU . 2.7 t -84.02 110.65 18.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.891 ' HB3' ' OE1' ' A' ' 86' ' ' GLN . . . -62.36 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.66 -134.41 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 65' ' ' LEU . 1.1 pt? -64.28 -170.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 0.805 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -41.16 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.66 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.5 tp10 -87.98 175.89 7.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.897 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 81.15 -55.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -54.39 -48.66 71.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -51.01 69.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -59.23 -36.29 75.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 68' ' ' ALA . 40.8 t -56.07 -37.0 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.66 -35.39 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.57 -69.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -44.83 -38.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.44 -172.64 38.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 77' ' ' ILE . 32.0 mt -112.27 50.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.54 141.32 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -43.96 157.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.02 61.64 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 66.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -154.47 138.51 16.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -48.13 174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.666 ' CD1' HG11 ' A' ' 72' ' ' VAL . 5.2 tt -155.16 -49.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 63.24 136.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.891 ' OE1' ' HB3' ' A' ' 63' ' ' ALA . 5.9 pm0 -171.97 -157.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.45 75.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.05 -35.29 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 166' ' ' SER . 1.5 mmp_? -141.64 151.27 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t -140.84 112.55 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.513 HD22 HD21 ' A' ' 163' ' ' LEU . 0.6 OUTLIER -101.85 92.83 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' OE2' ' A' ' 106' ' ' GLU . 6.4 t80 -68.92 133.68 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.561 ' SD ' HD13 ' A' ' 23' ' ' LEU . 86.0 mmm -96.2 93.52 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' ASP . 61.1 t -67.66 -41.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.486 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 1.6 t70 60.97 121.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.25 -162.68 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.426 ' HB ' HG21 ' A' ' 122' ' ' THR . 4.8 t -111.19 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 m -79.67 151.18 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -128.34 143.98 51.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.427 ' O ' ' CD ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -161.1 -172.75 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.99 26.7 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' ' CD ' ' A' ' 106' ' ' GLU . 30.4 m -115.05 -30.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.625 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.39 -45.63 5.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -71.06 64.02 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.442 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 7.4 pt-20 166.43 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 104' ' ' PRO . 1.1 tt -77.18 -13.0 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.586 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -67.72 -62.33 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.14 54.39 3.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -132.54 -55.7 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.466 ' HB3' HG11 ' A' ' 140' ' ' VAL . 41.9 p90 -87.2 40.66 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.8 pt -118.37 9.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.15 178.63 6.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.89 61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 116' ' ' PRO . 2.1 pp -142.12 141.79 22.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.625 ' O ' HD12 ' A' ' 115' ' ' LEU . 18.5 Cg_endo -74.99 163.84 34.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.22 138.99 28.43 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.62 137.78 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.551 HD23 ' N ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -123.34 133.46 24.57 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.42 42.8 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.766 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.3 mt -104.37 142.01 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 130' ' ' ILE . 1.1 m -94.67 110.05 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 123' ' ' VAL . 7.1 p -125.68 67.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.52 118.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 60.28 146.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 63.73 167.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.72 -48.73 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.92 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.28 -51.99 55.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 122' ' ' THR . 41.1 mm -44.1 -79.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.0 p -39.28 -44.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -50.68 -63.33 4.54 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -50.63 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 m -39.18 -64.24 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.3 mt -96.79 27.77 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.35 13.75 11.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -149.63 40.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.6 t -71.29 59.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -90.52 120.5 31.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 111' ' ' PHE . 81.5 t 63.11 122.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -52.84 97.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -73.13 128.95 12.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.16 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.509 ' O ' ' HB2' ' A' ' 144' ' ' ALA . 5.2 t-160 -41.85 -33.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 0.775 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 143' ' ' HIS . . . 175.4 177.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.6 mp -142.78 125.27 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.83 121.7 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 156.36 21.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.509 HD11 HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -169.41 -169.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 153' ' ' GLY . 31.4 t -157.29 99.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.04 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -43.25 -34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -61.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.521 HG23 ' HG2' ' A' ' 154' ' ' GLU . 1.4 t -108.22 15.28 24.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 42.58 55.28 4.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.521 ' HG2' HG23 ' A' ' 152' ' ' THR . 4.9 mm-40 -50.6 -96.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.57 85.82 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 76.2 t -107.38 -56.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.412 0.713 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.5 -50.95 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 37.6 t -49.41 -54.27 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -48.73 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.772 ' HA ' HD12 ' A' ' 163' ' ' LEU . 62.4 ttt180 -48.12 -46.76 34.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -58.29 -40.54 82.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -18.73 65.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 160' ' ' ARG . 11.4 mt -89.98 -36.15 15.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -99.72 45.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -138.87 -48.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.445 ' HB2' ' CG ' ' A' ' 89' ' ' ARG . 41.6 m -87.43 10.68 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -70.73 176.07 4.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -125.69 140.04 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.92 168.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.155 . . . . 0.0 109.576 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -140.35 179.5 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -150.65 171.61 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA2' ' CG ' ' A' ' 167' ' ' MET . . . 149.44 146.92 4.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.49 -176.68 5.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 0.815 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.692 ' HZ2' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -123.44 121.17 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 163' ' ' LEU . 27.5 m -121.98 127.76 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p -97.99 147.07 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.72 86.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.05 125.21 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.5 93.71 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.18 118.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.95 127.84 11.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.1 t30 81.05 87.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.691 ' HB3' ' CE ' ' A' ' 93' ' ' MET . . . -169.11 31.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.88 31.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.584 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -100.49 -29.64 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.335 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.86 -52.35 30.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.995 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -46.0 -26.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 148' ' ' LEU . 43.7 mt -72.86 -44.17 61.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.0 mp -50.4 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -59.36 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.18 -47.77 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.42 54.55 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . . . -172.19 113.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.4 58.38 2.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -120.14 124.49 45.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -62.39 102.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 61.82 82.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.09 149.75 46.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 pt -85.11 128.9 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.25 141.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -119.26 158.82 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -145.95 86.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 tp -116.99 150.18 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 0.0 109.382 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.9 -42.4 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.94 101.68 0.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.409 1.068 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -39.34 158.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.4 p -100.63 128.04 46.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -59.42 -36.77 76.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' LEU . 2.8 p30 -75.2 -11.58 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 46' ' ' LEU . 65.8 t 69.29 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 60' ' ' ILE . 35.5 tp -34.97 100.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.0 ttm-85 -131.89 11.12 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 1.5 pp20? -131.79 39.49 3.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.661 ' CE1' ' HB2' ' A' ' 28' ' ' ALA . 28.0 p80 40.06 -159.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.1 mm -146.55 147.53 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -107.08 123.63 48.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.8 mt -144.87 122.66 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.173 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.09 -59.55 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.23 147.62 60.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -64.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.33 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -105.59 140.31 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.59 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.492 ' O ' HG22 ' A' ' 59' ' ' ILE . 67.3 mt -146.71 67.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.71 ' O ' HD22 ' A' ' 46' ' ' LEU . 52.8 mt -135.61 139.74 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.492 ' CG ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -138.02 120.51 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 62' ' ' THR . 8.4 t -78.85 84.64 4.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -68.76 -157.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 -61.94 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ALA . 4.1 tp -98.61 149.03 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -40.71 -45.39 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.58 -44.99 89.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . -61.49 -54.63 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.51 -42.71 23.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -64.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -52.71 -44.86 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.809 HG21 ' HB2' ' A' ' 63' ' ' ALA . 2.6 t -46.34 -77.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.616 ' N ' HG12 ' A' ' 72' ' ' VAL . 13.8 pt-20 -50.85 -40.05 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -54.83 29.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 71' ' ' GLU . 2.3 pt -66.72 -20.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -3.71 87.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.6 mt 68.59 70.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 73' ' ' GLU . 2.8 pt-20 -170.07 144.23 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.13 159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.64 -18.61 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -42.01 79.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 107.968 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -45.07 154.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -111.96 169.61 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 73' ' ' GLU . 3.2 mp -132.01 123.39 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.78 161.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.91 151.44 19.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.737 ' O ' HD11 ' A' ' 115' ' ' LEU . . . -41.32 143.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -93.59 -43.29 8.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 89' ' ' ARG . 2.0 ptp180 -168.74 158.34 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.445 HG21 ' OE2' ' A' ' 110' ' ' GLU . 53.9 t -115.99 158.29 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.85 HD13 HD21 ' A' ' 159' ' ' LEU . 0.8 OUTLIER -149.81 52.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.951 ' CE2' HD23 ' A' ' 119' ' ' LEU . 37.9 p90 -61.38 108.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.691 ' CE ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -77.67 166.87 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.2 m -133.37 -176.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.406 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 13.8 t0 -119.93 84.39 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.197 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.601 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 43.46 -150.83 0.51 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.666 ' CG2' HD13 ' A' ' 130' ' ' ILE . 60.5 p -75.05 59.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 110.372 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 96.4 m -111.56 104.43 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.2 t -97.23 141.18 30.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.461 ' HB3' HG22 ' A' ' 102' ' ' VAL . 28.3 m-20 -161.2 172.47 16.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -13.89 56.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 100' ' ' ASP . 16.4 m -92.46 -0.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.5 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -74.6 -52.93 3.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.502 ' HA ' ' CG2' ' A' ' 107' ' ' ILE . 18.4 Cg_endo -75.0 -33.9 4.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . -39.96 -32.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 104' ' ' PRO . 20.3 mm-40 -117.03 53.06 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.502 ' CG2' ' HA ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -152.36 -46.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.466 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -42.86 -56.93 5.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.1 Cg_endo -75.03 57.09 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.445 ' OE2' HG21 ' A' ' 90' ' ' VAL . 5.9 tp10 -160.55 -46.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 1.3 t80 -48.69 -39.07 23.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.676 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -97.09 99.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 163.19 155.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.771 ' C ' HD22 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -85.83 50.77 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 114' ' ' ARG . 3.8 mm? -126.27 118.52 23.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.421 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 114.17 3.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.07 153.17 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -77.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.951 HD23 ' CE2' ' A' ' 92' ' ' PHE . 2.2 tm? 67.11 94.91 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 165.99 30.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 121' ' ' ILE . 2.4 pp -120.96 148.5 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 130' ' ' ILE . 8.7 t -101.63 161.64 13.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.838 ' HA ' HG21 ' A' ' 130' ' ' ILE . 7.7 p -168.62 72.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 125' ' ' ARG . 12.9 p -174.39 166.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 124' ' ' VAL . 1.9 tmt_? 82.48 -51.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.2 OUTLIER -122.0 -47.29 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 126' ' ' ASN . 10.4 mttp 68.06 -67.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -50.73 -58.19 6.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -42.28 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.838 HG21 ' HA ' ' A' ' 123' ' ' VAL . 25.8 mm -45.9 -56.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.8 m -42.05 -47.2 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.04 -58.55 11.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -46.69 86.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -41.47 -60.92 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.6 mt -51.86 120.92 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 52.34 63.04 5.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.1 mmt -40.11 -43.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -175.08 -77.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -163.85 -167.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 70.2 153.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -96.7 81.0 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -51.73 137.97 30.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -58.77 -57.32 13.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 0.73 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -143.46 151.2 40.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.5 mt -110.81 89.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 147' ' ' ARG . 3.3 mm -120.93 163.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 146' ' ' ILE . 5.8 ptt180 -108.88 165.5 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 23' ' ' LEU . 2.0 mt -135.53 172.09 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.95 43.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 62.27 -99.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.681 ' O ' HG23 ' A' ' 152' ' ' THR . 0.1 OUTLIER -114.43 99.15 7.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 151' ' ' ARG . 1.8 p -159.81 -45.45 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 105.23 20.62 9.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.44 -68.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.25 -28.88 8.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 13.0 t -49.9 -25.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 5.4 m -77.96 -39.99 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.85 HD21 HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -42.87 -48.93 5.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.26 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -46.34 -60.96 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -58.31 -48.89 79.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 163' ' ' LEU . 0.7 OUTLIER -46.83 -43.15 18.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 166' ' ' SER . 0.6 OUTLIER -72.79 -47.11 49.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 60.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 167' ' ' MET . 5.2 p -160.17 -41.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 166' ' ' SER . 0.0 OUTLIER -30.78 129.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -91.02 148.59 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 29.5 mm -46.54 150.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 27.3 t60 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.11 145.96 46.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.76 168.7 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 107.46 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttp -132.41 146.54 52.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.812 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.644 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -114.53 122.46 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 91' ' ' LEU . 7.7 p -95.33 158.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.7 t -126.88 135.52 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.46 HG22 ' HB2' ' A' ' 20' ' ' LYS . 4.7 mp -137.46 97.65 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.21 162.66 31.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.53 99.28 0.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.474 1.108 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 61.49 157.34 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 0.789 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -99.43 104.57 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.09 -46.83 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.2 44.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HB2' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -110.51 -26.3 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.74 -55.48 5.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.113 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.8 m -61.94 -45.98 91.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.937 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 148' ' ' LEU . 0.2 OUTLIER -49.82 -61.28 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.681 HD21 ' C ' ' A' ' 48' ' ' GLU . 17.3 tp -39.4 -43.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ALA . 27.4 m-20 -67.41 -49.7 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.68 ' HB3' HD13 ' A' ' 27' ' ' LEU . . . -39.45 -57.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -99.07 70.24 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.206 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -149.16 135.78 19.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.41 52.3 4.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.34 130.72 41.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.15 -58.8 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.75 99.87 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.58 163.49 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -151.65 144.72 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -108.05 163.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -150.24 146.19 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -76.87 -51.9 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 tp 40.3 81.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.53 -43.09 50.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 95.6 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 m -42.18 122.54 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 0.711 . . . . 0.0 110.421 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.748 HG23 ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -75.32 142.59 43.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -69.26 -43.54 73.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.5 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -69.5 -10.4 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.762 ' O ' HG13 ' A' ' 45' ' ' VAL . 1.6 p 32.99 45.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 46' ' ' LEU . 1.3 tp -124.89 36.92 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.7 37.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.681 ' C ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -118.5 37.74 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.2 m80 47.44 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.631 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.791 HD13 HG21 ' A' ' 60' ' ' ILE . 3.9 tp -167.82 150.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -153.66 151.51 29.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.608 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 58' ' ' HIS . 2.8 tt -157.33 108.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.78 -40.73 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.17 -90.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -115.82 129.46 25.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.909 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.38 4.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.566 1.824 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.95 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.715 ' HB2' HG21 ' A' ' 52' ' ' ILE . 1.5 t60 -118.56 148.21 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 59' ' ' ILE . 2.9 tt -116.89 109.36 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.791 HG21 HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -97.69 169.01 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.86 ' HB2' HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -148.18 95.15 2.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 9' ' ' LYS . 32.3 p -84.06 63.48 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.23 -171.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -171.91 -54.19 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.445 HD23 ' OE1' ' A' ' 67' ' ' GLU . 5.9 tp -99.04 158.66 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.224 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -43.2 -52.66 5.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE1' HD23 ' A' ' 65' ' ' LEU . 10.7 pt-20 -53.03 -52.19 59.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.6 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 t -52.13 -40.04 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.031 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.84 25.38 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -105.84 -54.35 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.86 HG11 ' HB2' ' A' ' 61' ' ' ASP . 4.0 m -56.35 -44.09 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.52 -36.52 23.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -57.53 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.6 mt -49.54 -44.33 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -148.33 0.29 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.617 HD13 ' N ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -136.2 45.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 0.728 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.78 178.44 5.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -82.1 134.99 35.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.34 62.75 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.412 ' CG ' ' N ' ' A' ' 82' ' ' GLN . 2.7 t-105 -114.14 -71.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.985 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 81' ' ' TRP . 0.0 OUTLIER -177.36 127.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.65 65.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.847 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -172.14 126.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.847 ' N ' HD13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -74.26 -96.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -177.34 168.68 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.58 152.8 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.6 -52.87 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 118' ' ' LYS . 2.5 mmm180 -121.78 134.61 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.41 104.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.503 HD12 HG21 ' A' ' 10' ' ' VAL . 4.2 mt -78.85 108.19 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.817 ' HE1' HG22 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -82.15 161.55 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.36 117.37 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -134.39 128.47 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.54 170.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.438 ' HA2' ' CB ' ' A' ' 122' ' ' THR . . . -42.02 -94.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 97' ' ' THR . 15.0 t -121.89 50.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 m -113.07 115.93 29.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -120.23 73.73 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 -171.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.89 179.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' ASP . 14.0 t 71.52 -58.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.5 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -39.14 -52.31 4.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -74.98 -38.65 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 59.57 3.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.9 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.817 HG22 ' HE1' ' A' ' 92' ' ' PHE . 1.1 pt -84.69 -22.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -50.81 -59.76 6.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.06 55.31 3.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.71 -48.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -43.53 -38.88 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.666 ' C ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -93.52 90.25 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 115' ' ' LEU . . . -167.33 162.21 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.579 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -107.92 52.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -156.28 147.04 16.26 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.42 ' HB2' ' CG ' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.04 149.06 36.0 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB1' ' CD2' ' A' ' 92' ' ' PHE . . . -130.67 98.37 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -58.15 109.68 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.216 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -94.73 113.28 60.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.406 ' N ' HD13 ' A' ' 119' ' ' LEU . 18.5 Cg_endo -74.96 156.61 43.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.407 HG22 HG21 ' A' ' 134' ' ' THR . 11.6 pt -134.0 173.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.438 ' CB ' ' HA2' ' A' ' 96' ' ' GLY . 96.4 m -139.66 112.38 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 123' ' ' VAL . 7.6 m -106.7 39.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.572 HG22 ' H ' ' A' ' 125' ' ' ARG . 7.1 p -54.02 172.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.572 ' H ' HG22 ' A' ' 124' ' ' VAL . 12.9 ttt180 -71.1 91.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.38 -60.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.452 ' CA ' HG12 ' A' ' 130' ' ' ILE . 2.0 mttm 77.02 -57.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.64 -57.28 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.508 ' CG ' HG21 ' A' ' 97' ' ' THR . 0.4 OUTLIER -49.53 -63.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.452 HG12 ' CA ' ' A' ' 127' ' ' LYS . 29.1 pt -42.39 -30.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 m 46.97 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.435 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 47.14 23.17 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.405 1.066 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.598 ' O ' HG22 ' A' ' 134' ' ' THR . 0.7 OUTLIER 50.4 84.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.427 0.722 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 133' ' ' GLU . 10.2 t 46.9 42.86 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.22 92.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.21 -59.24 9.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.71 89.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -151.52 32.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -63.52 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 142' ' ' GLY . 11.6 p -66.92 139.74 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.597 1.186 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -67.32 73.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -40.81 156.34 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.691 ' O ' ' HB3' ' A' ' 144' ' ' ALA . 8.3 t-80 -93.49 61.6 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 143' ' ' HIS . . . 84.45 166.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.0 mt -134.81 120.54 19.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 159' ' ' LEU . 1.5 pp -131.54 135.52 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.429 ' H ' ' NE ' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -70.51 162.44 28.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.557 ' CD2' HD13 ' A' ' 23' ' ' LEU . 12.9 tp -161.96 155.05 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 87.5 p -152.25 123.26 7.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.929 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -40.32 -66.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -69.03 134.95 50.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.058 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 70.2 p 43.39 61.97 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 156' ' ' VAL . . . -44.54 113.28 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -54.31 12.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -109.29 54.15 0.56 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.432 1.083 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.651 HG21 ' HB1' ' A' ' 26' ' ' ALA . 2.3 t -92.66 -44.76 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -52.45 40.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 81.6 t -48.67 -30.27 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.224 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -69.32 -55.59 10.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 159' ' ' LEU . 0.1 OUTLIER -38.15 -46.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.613 1.196 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -83.39 76.99 9.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.63 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 163' ' ' LEU . 3.7 mm? -76.21 -16.69 59.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -87.51 -55.01 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.0 -39.99 9.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 86.4 p -95.07 59.18 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -114.49 172.22 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -100.16 120.25 6.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.429 1.08 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.74 103.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.555 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 mmt-85 -111.75 -56.23 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 70.94 124.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 87.25 0.14 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -146.94 -173.62 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.598 ' HE3' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -169.06 -169.43 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.685 HG11 HD21 ' A' ' 163' ' ' LEU . 24.4 m -123.76 -166.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.703 HG13 HG22 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -150.4 81.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.92 133.83 28.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.78 138.77 20.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.65 177.75 38.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -37.94 130.05 0.95 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.98 81.73 2.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.0 m-20 160.97 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.38 84.68 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' SER . . . 62.04 -100.37 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.71 -78.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -68.42 -53.63 22.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -53.42 -43.09 67.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.631 ' HA ' ' HB2' ' A' ' 150' ' ' ALA . 5.8 tp -59.16 -67.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD22 ' HA ' ' A' ' 48' ' ' GLU . 2.8 tp -40.85 -55.3 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -40.71 -64.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.13 -55.33 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -69.26 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 -51.86 6.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.28 -115.48 5.23 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 59.46 155.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.03 -55.46 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.59 116.29 21.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.38 139.78 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 tt -124.15 157.76 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.95 139.14 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -132.09 161.94 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' ILE . 5.1 t0 -117.72 -57.3 2.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.673 HD11 ' HG3' ' A' ' 47' ' ' ARG . 5.2 pt 37.55 86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.62 73.77 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.9 25.19 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 41' ' ' THR . 3.3 m 38.55 78.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.62 HG23 ' N ' ' A' ' 45' ' ' VAL . 15.3 t -46.03 125.69 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.465 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -55.59 -42.05 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -66.79 -10.32 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.62 ' N ' HG23 ' A' ' 42' ' ' THR . 8.5 p 43.72 29.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.007 HD22 ' HA ' ' A' ' 61' ' ' ASP . 14.4 tp -110.97 75.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.673 ' HG3' HD11 ' A' ' 38' ' ' ILE . 35.6 ttp85 -105.64 -7.44 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.709 ' HA ' HD22 ' A' ' 24' ' ' LEU . 16.1 mp0 -91.32 25.35 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 47.08 -172.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 tp -166.12 105.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.75 150.68 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.597 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.0 120.41 49.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -85.28 -53.22 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.062 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.13 133.01 24.35 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.501 0.766 . . . . 0.0 111.036 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.2 45.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 162.78 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.52 -89.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.598 HG22 ' HE3' ' A' ' 9' ' ' LYS . 10.2 mt 71.55 124.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 1.007 ' HA ' HD22 ' A' ' 46' ' ' LEU . 10.0 m-20 -122.51 155.91 35.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 17.0 m -65.01 -43.07 93.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.689 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . 68.59 -71.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' THR . . . 72.72 -99.46 0.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 175.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -49.01 12.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 110.339 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.52 -44.74 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.83 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -47.38 -58.95 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.33 -38.54 3.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.01 -41.12 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 63' ' ' ALA . 13.9 t -49.41 -50.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.52 -45.7 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -51.74 -56.11 15.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.6 mt -60.12 -32.85 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.41 -7.78 87.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.2 mt 49.12 74.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.355 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -162.69 167.2 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -41.18 111.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.42 55.87 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.52 -70.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.06 123.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.88 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.2 tp -161.58 135.66 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.29 141.64 49.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -158.27 -173.54 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 65.5 96.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -139.47 -47.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.547 ' NH1' ' CD2' ' A' ' 143' ' ' HIS . 12.3 tpp180 -133.39 104.86 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.703 HG22 HG13 ' A' ' 11' ' ' VAL . 21.3 t -92.44 106.32 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 91' ' ' LEU . 1.4 pp -106.38 107.41 18.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 107' ' ' ILE . 78.9 m-85 -77.77 -172.04 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -150.27 137.11 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.87 108.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.99 109.43 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 52.17 -175.94 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.3 p -71.48 58.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.2 m -92.75 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 t -106.57 130.3 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -151.97 -168.53 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.8 11.81 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.07 -23.07 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.579 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.98 -48.29 2.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.93 -9.13 20.72 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.562 1.822 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.84 53.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -171.95 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.623 HG22 ' CD1' ' A' ' 92' ' ' PHE . 4.9 pt -82.49 -33.87 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.519 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.1 OUTLIER -56.78 -59.38 12.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -74.94 56.78 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.28 -49.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.564 ' CD1' HG21 ' A' ' 140' ' ' VAL . 0.9 OUTLIER -38.29 -38.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 112' ' ' ILE . 6.1 tp -81.33 77.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.58 143.31 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 71.65 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 pp -175.08 137.22 0.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.41 40.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.0 138.73 45.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.756 ' HE2' HD11 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -102.8 159.73 15.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.863 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -130.67 130.43 22.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.863 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.6 Cg_endo -74.92 163.62 35.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.514 HD11 ' CB ' ' A' ' 145' ' ' LEU . 23.6 mt -122.35 159.36 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.402 ' N ' ' CG2' ' A' ' 121' ' ' ILE . 0.7 OUTLIER -123.67 140.37 53.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.7 p -146.53 54.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 124' ' ' VAL . 12.3 m -79.56 85.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER 66.35 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' ARG . 24.9 m-80 -40.05 155.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -133.01 -58.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.43 -25.2 66.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.225 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -67.49 -66.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.898 HD12 ' N ' ' A' ' 131' ' ' THR . 2.5 pp -53.85 -47.84 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.898 ' N ' HD12 ' A' ' 130' ' ' ILE . 1.0 OUTLIER -39.48 -41.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -41.82 -84.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -49.87 75.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.262 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 136' ' ' GLY . 50.3 m -40.48 -31.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -49.34 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' SER . . . 34.52 71.91 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 136' ' ' GLY . 4.1 ttt -31.95 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.413 0.713 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -65.31 116.57 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 140' ' ' VAL . 12.6 tp10 -178.05 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.564 HG21 ' CD1' ' A' ' 111' ' ' PHE . 13.4 p -156.74 148.09 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.09 113.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -92.43 143.68 16.66 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.547 ' CD2' ' NH1' ' A' ' 89' ' ' ARG . 0.9 OUTLIER -61.95 -42.12 98.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.55 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 143' ' ' HIS . . . 175.0 137.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.514 ' CB ' HD11 ' A' ' 121' ' ' ILE . 2.7 mt -91.97 115.58 28.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 4.5 mm -125.79 144.26 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.17 155.65 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.6 pp -175.06 -170.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 151' ' ' ARG . 18.9 p -176.44 88.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 23' ' ' LEU . . . -40.31 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -168.77 -50.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.3 m -167.58 109.55 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 70.54 -104.42 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 60.67 -174.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -77.15 54.67 3.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 50.4 t -99.27 -41.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.224 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.02 -45.77 87.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 80.5 t -58.79 -31.42 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.756 HD11 ' HE2' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -71.04 -46.73 61.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.42 -49.38 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.23 -49.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -61.65 -34.02 74.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.685 HD21 HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -66.17 -28.39 68.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -71.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -37.84 -36.79 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.0 t -68.1 -57.76 5.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.03 110.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -90.75 146.04 18.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.3 pt -54.51 136.71 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 0.805 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 109.586 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -128.09 153.09 47.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.54 154.94 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.74 95.34 0.1 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -179.66 131.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' CG ' HG12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -87.26 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.381 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.703 HG11 HD21 ' A' ' 163' ' ' LEU . 2.4 p -170.43 104.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' C ' HG23 ' A' ' 12' ' ' ILE . 11.6 p -59.9 145.77 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.419 HG23 ' C ' ' A' ' 11' ' ' VAL . 1.3 pp -152.68 90.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.79 169.31 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.84 175.48 23.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -42.57 118.92 2.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 62.7 5.97 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -177.61 57.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.31 35.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.56 33.54 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -54.17 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.75 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -77.86 -38.21 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.99 -48.38 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.9 tp -60.9 -53.82 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -50.7 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -51.09 -48.91 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -84.97 59.74 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.585 HD11 HD12 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -174.58 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.8 -69.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.4 -56.89 0.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -40.74 105.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 0.743 . . . . 0.0 110.188 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -58.94 140.7 55.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.07 59.53 2.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.39 -178.25 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tt -123.86 128.86 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.9 m -90.84 114.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -88.05 145.43 25.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 110.425 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -145.66 84.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pt -125.45 175.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -110.83 -55.78 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.76 95.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' ALA . 16.0 p -49.34 157.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 0.719 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.3 p -106.03 130.68 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.409 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -58.24 -33.67 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -80.16 -15.4 57.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.578 HG13 HG23 ' A' ' 62' ' ' THR . 8.5 p 43.92 29.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD13 ' H ' ' A' ' 62' ' ' THR . 5.9 tp -107.52 57.19 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -96.64 24.76 5.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.08 12.45 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 57.34 -178.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 58' ' ' HIS . 3.8 tt -120.01 146.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 3.3 p-80 -118.16 96.85 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -122.7 118.03 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.07 -41.91 12.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 55' ' ' MET . 2.3 mpt? -127.5 145.12 53.39 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 0.74 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.54 91.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.416 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -170.96 126.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.98 108.83 22.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.483 ' O ' HD22 ' A' ' 46' ' ' LEU . 1.1 tt -101.6 -178.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.522 ' HB2' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -160.15 109.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 62' ' ' THR . 12.0 t -83.04 72.54 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.897 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -52.63 -87.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.3 -48.87 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.7 140.29 38.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -41.01 -57.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.43 1.081 . . . . 0.0 110.367 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.66 -49.86 56.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.98 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -44.83 -41.22 6.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -72.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.34 -30.32 3.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.897 HG21 ' HB2' ' A' ' 63' ' ' ALA . 0.9 OUTLIER -57.81 -50.86 76.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -69.36 -18.22 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 pt -75.65 -14.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -105.97 14.47 44.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 77' ' ' ILE . 14.9 mt 44.68 48.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.76 177.81 5.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 21.1 mtm105 -98.71 152.22 19.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -72.67 102.5 3.33 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -149.16 -45.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER 81.16 94.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 85' ' ' GLU . 2.5 tp -87.71 -39.59 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 9.1 tt0 84.93 149.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 178.31 7.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.92 176.16 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -151.25 32.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.02 143.56 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.42 HG23 ' HG ' ' A' ' 115' ' ' LEU . 31.1 t -135.41 127.38 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 159' ' ' LEU . 1.1 tm? -114.22 87.49 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CZ ' ' HG2' ' A' ' 110' ' ' GLU . 1.0 OUTLIER -73.56 147.85 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.4 tpt -125.41 132.01 52.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.7 t -148.32 131.74 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -48.59 -52.65 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.394 1.059 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.59 -82.87 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -94.63 32.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.455 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -115.67 91.57 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.3 p -101.36 79.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.31 174.34 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.11 -0.12 56.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.395 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.7 t -103.98 -17.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.56 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -62.86 -48.89 84.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.97 -19.25 18.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.55 -17.08 63.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.8 35.02 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -120.74 -41.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.587 ' C ' ' CD1' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -50.54 -55.97 22.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.01 56.3 4.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.401 1.737 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.544 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 tp10 -149.56 -62.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.66 -19.65 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.704 ' O ' HG22 ' A' ' 112' ' ' ILE . 3.7 mt -87.66 74.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.436 ' HB1' ' CD2' ' A' ' 115' ' ' LEU . . . -176.43 -179.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -99.06 -37.32 9.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' ' HB1' ' A' ' 113' ' ' ALA . 1.7 pt? -58.41 144.65 77.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -74.93 177.72 8.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -143.35 133.3 24.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -100.54 -176.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.75 137.03 1.17 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.3 Cg_endo -74.99 -176.69 3.01 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.554 HD11 ' O ' ' A' ' 145' ' ' LEU . 75.2 mt -119.61 163.85 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 122' ' ' THR . 13.2 t -116.7 59.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.4 p -69.5 65.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.688 HG22 ' H ' ' A' ' 125' ' ' ARG . 3.9 p -107.18 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.688 ' H ' HG22 ' A' ' 124' ' ' VAL . 7.8 mtt180 -48.93 156.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.7 114.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -14.43 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.59 -47.1 82.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.01 79.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -40.38 -83.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.0 t -43.74 -46.72 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.51 58.64 2.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.4 -52.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 110.226 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.1 m -59.4 -33.19 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.08 -36.57 13.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.28 -71.44 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.83 91.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.5 p -132.44 41.44 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.25 -65.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.9 p -80.71 138.21 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.37 94.43 0.4 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -43.63 -34.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.626 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -167.59 -172.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.554 ' O ' HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -161.8 96.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 2.0 pt -108.52 151.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -101.13 140.34 35.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 148' ' ' LEU . 0.0 OUTLIER -158.36 -178.5 7.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.2 t -152.32 30.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 152' ' ' THR . . . 43.74 -147.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 66.55 -70.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 150' ' ' ALA . 9.5 t -175.12 138.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 61.49 -145.6 48.69 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 75.28 -69.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 0.795 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -157.8 45.69 0.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 17.1 m -106.84 9.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -107.34 -62.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.76 -38.23 43.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 91' ' ' LEU . 6.0 tt -59.07 -47.33 85.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -65.18 -27.78 68.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -71.9 -13.74 61.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -115.06 12.4 16.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.703 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -100.13 -46.22 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -56.36 8.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -40.97 -33.17 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 50.9 m -42.07 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.413 ' CB ' ' HG3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -144.03 160.99 39.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 169' ' ' ILE . . . -143.88 -84.74 0.07 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 12.0 pt -37.31 151.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 145.43 41.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -150.29 174.62 12.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.61 -177.99 29.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.527 ' HB3' ' CB ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -152.76 -166.47 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.073 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' CE ' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -141.71 87.97 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.81 HG21 HD21 ' A' ' 163' ' ' LEU . 10.0 p -88.9 156.54 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.653 ' CG1' HG22 ' A' ' 90' ' ' VAL . 9.3 p -155.67 130.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 mt -91.07 129.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.58 172.14 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 109.373 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.78 171.25 14.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -70.99 150.27 94.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 110.267 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 72.74 4.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 18' ' ' ALA . 12.9 t-20 173.5 -34.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . -38.71 -66.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.359 1.037 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.84 41.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -85.6 159.75 19.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.24 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t 79.16 -55.3 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -16.33 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.1 tt -77.42 -56.86 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.71 -27.44 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.94 -49.82 65.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.08 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -76.1 65.23 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.46 160.48 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.43 -48.62 6.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -43.32 122.5 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.794 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.22 -56.6 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -58.18 -73.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 69.7 148.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.38 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -118.47 145.53 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.511 ' N ' HD13 ' A' ' 34' ' ' ILE . 7.7 p -106.44 120.18 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.15 93.81 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.44 94.63 9.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.79 130.04 69.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.72 -28.05 40.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.44 91.98 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -38.83 133.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 45' ' ' VAL . 7.4 t -89.11 149.23 23.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -41.36 19.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.676 ' HA ' HG12 ' A' ' 72' ' ' VAL . 3.7 p30 -65.71 -11.98 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.74 HG11 ' O ' ' A' ' 63' ' ' ALA . 95.3 t 67.68 -63.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -38.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.6 ptt85 -129.24 7.04 5.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.09 35.47 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' O ' ' CG1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER 40.74 -159.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 49' ' ' HIS . 12.4 mt -156.7 126.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 3.8 p80 -83.24 101.26 11.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 0.0 109.594 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 tp -91.3 107.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.65 114.93 29.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 -44.05 1.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.6 ttt -154.43 112.96 2.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.69 4.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.12 55.64 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.506 ' CD2' HG13 ' A' ' 60' ' ' ILE . 59.3 t60 -143.96 151.01 39.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.3 130.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.506 HG13 ' CD2' ' A' ' 58' ' ' HIS . 7.2 mt -129.07 145.74 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.78 151.2 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.402 ' HB ' ' N ' ' A' ' 46' ' ' LEU . 44.5 m -102.85 -50.98 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.74 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 45.63 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.7 -41.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.7 -176.69 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -56.07 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.03 -56.86 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.55 -53.72 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.09 -39.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.87 -45.54 20.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -55.31 -52.08 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 44' ' ' ASP . 25.7 m -59.5 -33.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -12.15 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.18 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -49.19 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 pp -59.03 -33.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.22 106.02 3.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.155 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mm -44.63 99.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -170.19 -179.75 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.42 154.31 38.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.15 -66.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -75.28 68.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -112.32 158.79 19.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.4 142.95 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 84' ' ' ILE . 2.9 tp -149.54 116.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.443 ' HB2' ' CE ' ' A' ' 9' ' ' LYS . 8.9 mm-40 -55.6 179.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.9 -179.72 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.56 136.28 38.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 166' ' ' SER . 64.9 t0 -117.43 -64.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -105.64 103.91 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.653 HG22 ' CG1' ' A' ' 11' ' ' VAL . 3.5 t -95.82 100.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.45 HD23 ' CG ' ' A' ' 118' ' ' LYS . 1.9 mt -83.74 134.82 34.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.737 ' CZ ' HD13 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -106.43 159.02 16.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 tpt -137.81 133.91 34.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.9 t -137.98 127.13 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.4 t70 -70.78 116.65 11.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.757 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 37.62 -156.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.704 ' O ' HG22 ' A' ' 97' ' ' THR . 1.3 m -97.63 64.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.622 0.837 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.3 m -132.76 123.11 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 t -104.3 141.5 36.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -168.33 171.66 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.728 ' C ' HG23 ' A' ' 102' ' ' VAL . . . -48.78 166.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.728 HG23 ' C ' ' A' ' 101' ' ' ALA . 2.4 t 82.03 -54.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -46.66 -50.32 42.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.0 -31.77 5.93 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.388 1.731 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 102' ' ' VAL . . . -56.66 -27.67 59.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.387 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -114.6 59.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.737 HD13 ' CZ ' ' A' ' 92' ' ' PHE . 8.5 mm -143.24 -49.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.463 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.45 -56.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 108.064 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -75.03 55.02 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.485 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -159.67 -58.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -40.94 -49.56 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 30.6 pt -60.81 -178.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 112' ' ' ILE . . . 70.67 163.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -91.05 3.21 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.61 126.82 79.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 165.81 30.4 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.8 104.26 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.476 ' HE3' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -68.87 167.24 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -138.46 117.34 9.5 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.1 Cg_endo -75.06 143.05 28.39 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.496 HD11 HD22 ' A' ' 145' ' ' LEU . 45.9 mt -114.31 147.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.757 HG21 ' HA2' ' A' ' 96' ' ' GLY . 0.5 OUTLIER -107.02 134.8 49.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 123' ' ' VAL . 13.5 m -127.66 72.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.2 133.53 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.2 115.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.65 141.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -116.32 -5.7 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' THR . . . -90.56 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -43.78 -30.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 122' ' ' THR . 0.4 OUTLIER -78.93 -46.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 130' ' ' ILE . 2.8 m -55.94 -58.79 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.26 58.81 1.12 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 179.59 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 135' ' ' LEU . 9.5 t -66.69 -50.97 61.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.464 ' N ' HG23 ' A' ' 134' ' ' THR . 15.7 mt -47.27 -56.52 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -94.65 50.02 2.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.781 ' SD ' HD21 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -39.06 -52.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 111.017 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.16 -68.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -179.21 -61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.45 123.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.99 65.95 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -37.74 141.02 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -42.01 -58.45 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -142.82 -179.8 6.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.781 HD21 ' SD ' ' A' ' 137' ' ' MET . 3.5 mp -146.02 100.57 3.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 20.7 mm -109.05 134.92 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -80.89 133.82 35.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.1 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.9 t -158.01 32.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 151' ' ' ARG . . . 59.54 -141.66 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 150' ' ' ALA . 7.9 mtt180 -38.0 -60.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 18.8 m -72.67 57.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.49 111.89 1.03 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.79 25.02 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 169.76 48.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.83 -30.84 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.14 -50.6 46.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.23 -29.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.476 HD12 ' HE3' ' A' ' 118' ' ' LYS . 4.4 tt -77.25 -45.31 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.32 -18.05 65.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.93 -17.69 59.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -105.2 14.77 28.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.81 HD21 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -111.79 -36.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.36 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.78 39.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -62.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' SER . . . . . 0.495 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 2.0 m -56.68 -19.94 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.042 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.527 ' CB ' ' HB3' ' A' ' 8' ' ' MET . 15.5 ptt? -48.99 138.04 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 152.15 50.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mt -92.65 97.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 50.5 t60 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.624 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -153.26 169.98 21.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -176.81 133.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.65 178.96 16.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -169.49 162.6 10.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 137.6 50.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.578 HG21 HD21 ' A' ' 163' ' ' LEU . 11.1 p -121.11 148.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.646 HG13 HG23 ' A' ' 90' ' ' VAL . 13.9 p -129.4 130.21 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -115.67 106.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.23 -172.99 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.08 148.8 8.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.41 150.8 2.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.14 5.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 4.3 t-20 176.25 100.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 175.2 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.39 42.71 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -29.12 62.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.808 ' HB2' HG21 ' A' ' 35' ' ' VAL . 2.1 p -82.38 -43.23 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -61.57 -31.46 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' LEU . 6.4 tt -67.51 -63.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.0 tm? -40.24 -65.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.181 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 79.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -177.96 -51.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.16 -59.82 4.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 -52.04 14.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 38.16 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -90.56 50.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.383 0.696 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 39.75 41.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.69 -56.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.85 131.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -157.6 119.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.808 HG21 ' HB2' ' A' ' 21' ' ' SER . 8.1 p -110.18 135.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -99.37 148.87 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.74 78.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.92 136.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -84.2 -44.95 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.585 1.178 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.25 96.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 41' ' ' THR . 2.9 t -57.81 116.08 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.458 HG23 ' HA ' ' A' ' 45' ' ' VAL . 6.0 t -68.06 132.8 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -37.93 89.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -70.74 -8.23 50.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.458 ' HA ' HG23 ' A' ' 42' ' ' THR . 7.1 p 40.29 36.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.897 HD22 ' HA ' ' A' ' 61' ' ' ASP . 11.7 tp -126.81 79.48 1.87 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.34 9.92 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.23 44.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 47.2 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.545 HD11 HD21 ' A' ' 46' ' ' LEU . 2.8 mp -143.5 97.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -47.0 147.47 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.9 pp -140.21 64.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.0 62.22 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.372 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.72 -69.34 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.5 ttt -130.31 121.19 19.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' HD13 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.94 -175.59 2.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp 51.15 55.55 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -144.35 147.3 33.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.75 154.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -112.94 -49.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.897 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.8 m-20 62.48 103.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.29 161.13 27.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -151.36 22.96 0.96 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 tp -170.41 156.12 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 0.782 . . . . 0.0 109.345 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -42.4 55.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -50.69 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.51 -61.05 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -51.19 -39.01 55.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.03 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.6 -37.37 87.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.542 HG13 ' HB3' ' A' ' 61' ' ' ASP . 2.9 t -56.75 -51.02 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.215 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -38.23 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -64.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -52.65 97.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.05 -143.71 14.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.93 -22.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.98 164.14 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -108.51 -69.6 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 79' ' ' ARG . . . 178.52 161.95 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 49.17 77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -178.34 140.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.485 ' HG3' HD12 ' A' ' 84' ' ' ILE . 8.5 pt-20 41.18 -157.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 83' ' ' GLU . 3.2 mt 65.74 124.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -123.45 -174.39 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -84.0 156.41 22.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.15 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -150.73 -48.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.515 ' HB3' HG23 ' A' ' 10' ' ' VAL . 1.2 tpt180 -107.64 153.08 23.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.646 HG23 HG13 ' A' ' 11' ' ' VAL . 9.9 p -158.7 123.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.726 ' HB2' ' HZ2' ' A' ' 118' ' ' LYS . 10.2 tt -132.13 110.56 10.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.808 ' CE2' HD13 ' A' ' 119' ' ' LEU . 7.6 p90 -110.21 77.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.37 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.407 HG11 HD11 ' A' ' 119' ' ' LEU . 35.1 m -129.51 -168.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 -171.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.58 -74.37 0.51 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.576 HG21 ' HD2' ' A' ' 127' ' ' LYS . 29.4 p -118.13 -41.0 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -38.8 132.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 m -156.46 82.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.19 -174.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.25 0.04 53.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.83 -10.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -71.97 -49.86 9.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.55 ' HA ' ' CG1' ' A' ' 107' ' ' ILE . 18.5 Cg_endo -74.93 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.7 0.09 57.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -115.39 -1.93 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.701 HG22 ' CE2' ' A' ' 92' ' ' PHE . 3.6 pt -117.08 -39.37 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.217 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.465 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -40.56 -55.95 4.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 53.31 3.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.39 1.732 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.571 ' OE2' HG11 ' A' ' 90' ' ' VAL . 7.0 tp10 -134.22 -45.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.39 41.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.5 mt -119.55 -46.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.714 ' HB3' HD11 ' A' ' 115' ' ' LEU . . . -76.84 -168.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.489 ' C ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -119.65 81.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -167.7 157.3 9.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.497 ' HB3' ' CD2' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.0 148.5 35.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.626 ' HB1' ' HE1' ' A' ' 92' ' ' PHE . . . -125.52 132.25 52.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.726 ' HZ2' ' HB2' ' A' ' 91' ' ' LEU . 4.2 mtmp? -97.36 135.97 38.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.808 HD13 ' CE2' ' A' ' 92' ' ' PHE . 20.2 tp -144.2 102.59 4.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.435 HG21 HG23 ' A' ' 134' ' ' THR . 1.4 pt -130.73 -173.26 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.78 HG21 HG13 ' A' ' 130' ' ' ILE . 10.2 t -99.05 144.22 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.541 ' O ' ' C ' ' A' ' 124' ' ' VAL . 8.3 p -76.51 66.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.774 HG22 ' N ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER 29.1 -97.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.774 ' N ' HG22 ' A' ' 124' ' ' VAL . 20.6 ttt180 74.62 -61.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -152.62 -165.98 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.576 ' HD2' HG21 ' A' ' 97' ' ' THR . 2.0 mmtt 68.7 49.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 42.95 31.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.589 ' HA ' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER 63.81 116.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.78 HG13 HG21 ' A' ' 122' ' ' THR . 21.2 mm -64.81 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 130' ' ' ILE . 6.3 t -37.65 -38.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.421 1.075 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.28 -45.99 85.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.435 HG23 HG21 ' A' ' 121' ' ' ILE . 0.8 OUTLIER -49.32 -45.09 44.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.44 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.56 -41.07 96.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.7 -46.39 89.98 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.4 ttp -69.15 73.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.1 t -130.65 62.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -40.77 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.03 137.88 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -49.83 101.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -48.57 142.69 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.497 ' CD2' ' HB3' ' A' ' 116' ' ' PRO . 52.5 t-80 -112.63 -15.55 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.617 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.21 -73.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 119' ' ' LEU . 61.4 mt 62.88 72.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.71 127.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 121' ' ' ILE . 0.8 OUTLIER -71.87 147.02 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.626 HD21 HD11 ' A' ' 159' ' ' LEU . 1.9 pp -176.18 163.27 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 150' ' ' ALA . 52.4 p -141.64 130.24 22.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 152' ' ' THR . . . -45.41 -94.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.4 -89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 152' ' ' THR . 1.0 OUTLIER -175.33 71.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 156' ' ' VAL . . . 147.99 -156.18 26.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 69.46 -149.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.571 0.807 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.603 ' HA3' HD22 ' A' ' 148' ' ' LEU . . . -41.78 -84.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 153' ' ' GLY . 0.0 OUTLIER 40.02 -97.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 155' ' ' GLY . 32.4 t70 -45.45 -50.53 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 36.6 t -41.78 -47.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.626 HD11 HD21 ' A' ' 148' ' ' LEU . 28.3 mt -73.11 -44.41 60.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -34.93 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.1 -50.56 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -52.72 -31.89 40.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.641 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.578 HD21 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -73.2 -49.99 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -54.88 -60.01 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -43.0 -37.29 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 54.3 p -99.87 75.14 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.33 -67.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.084 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 89.26 137.71 6.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.5 mt -65.02 113.03 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 75.1 t60 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.612 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -104.69 139.93 38.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.64 166.94 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.59 107.94 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.462 ' HG2' ' CB ' ' A' ' 167' ' ' MET . 0.0 OUTLIER -159.32 170.75 21.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.428 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -131.89 165.19 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -144.37 157.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 11' ' ' VAL . 7.2 p -136.22 100.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 91' ' ' LEU . 59.0 mt -92.74 84.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.3 167.66 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.57 129.82 2.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.22 156.21 0.49 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.67 19.91 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 68.09 50.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.83 27.86 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.53 72.69 0.49 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -107.76 -58.02 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -54.33 -49.1 70.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.6 m -47.85 -39.22 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -57.77 -58.9 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.555 HD22 ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -52.05 -39.34 59.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -63.05 -46.74 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -46.0 -57.56 4.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.083 . . . . 0.0 109.383 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 55.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -101.37 -52.78 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.15 -63.35 0.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 9.4 ptp180 -65.96 147.5 53.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.85 -62.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.32 129.57 40.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mm -103.07 118.39 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.606 1.192 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.07 140.35 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.9 p -125.57 140.35 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.54 88.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 tp -140.71 149.48 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.16 -54.96 3.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.64 101.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.2 p -54.67 142.65 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.6 p -63.88 156.67 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -81.69 -19.94 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.615 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -108.18 3.06 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.9 p 46.88 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 61' ' ' ASP . 2.5 tp -119.34 96.55 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 9.08 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HA ' HD22 ' A' ' 24' ' ' LEU . 4.1 mp0 -103.27 37.93 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER 40.45 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.557 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.4 mm -149.94 113.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.609 ' CE1' ' NH2' ' A' ' 160' ' ' ARG . 3.6 t-160 -95.5 116.48 28.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mm -130.63 126.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -86.6 -41.28 14.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.375 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.0 -74.03 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.26 170.66 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 0.796 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.781 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.19 143.26 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -164.29 -56.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp 64.22 116.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.505 ' HA ' HD13 ' A' ' 60' ' ' ILE . 6.8 mm -138.25 157.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.483 ' HA ' HD13 ' A' ' 46' ' ' LEU . 3.1 m-20 -134.68 131.78 38.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 62' ' ' THR . 4.7 t -96.57 73.46 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -62.74 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.02 -64.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.89 166.1 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -44.51 -47.86 10.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.15 -65.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.0 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -39.91 -38.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.942 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -76.79 -70.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -40.15 -47.34 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 44' ' ' ASP . 11.2 t -44.61 -60.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.392 1.057 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -49.8 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -56.46 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 mm -45.35 -48.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.19 42.22 2.01 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.549 1.156 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.608 HG22 ' N ' ' A' ' 78' ' ' GLU . 2.7 mp 59.92 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.608 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER 60.64 160.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.26 -82.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.65 -49.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -108.3 85.2 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.63 126.41 51.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -48.48 139.25 9.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 84' ' ' ILE . 7.5 tp -148.77 111.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 3.3 mm-40 -48.98 174.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -123.01 136.66 54.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.432 ' O ' HD23 ' A' ' 115' ' ' LEU . . . -45.69 105.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 3.0 m-20 -108.02 63.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER 162.91 130.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.9 t -124.79 118.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -131.1 98.49 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -115.17 142.18 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.78 137.99 31.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' GLY . 32.0 m -119.73 6.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 60.72 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -171.8 -132.68 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.1 t -46.63 -30.94 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.0 p -39.76 125.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -133.03 164.75 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -174.85 174.04 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.6 -1.47 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.38 -15.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -61.89 -49.76 84.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -74.95 -43.71 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.56 65.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 174.42 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.4 pt -92.13 -29.76 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.457 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -56.83 -56.09 36.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.95 56.32 4.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.73 -46.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -40.93 -33.43 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 112' ' ' ILE . 3.7 mp -82.17 79.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -177.27 128.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 56.98 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 115' ' ' LEU . 1.1 pp -145.74 154.75 52.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 151.86 39.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -133.23 86.61 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -63.99 126.8 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.725 HD23 ' HD2' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -107.41 120.6 47.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.725 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.08 154.55 42.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 122' ' ' THR . 3.7 mm -118.97 163.89 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.643 ' HB ' HG21 ' A' ' 130' ' ' ILE . 0.9 OUTLIER -94.57 147.54 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' VAL . 3.5 t -79.95 54.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.835 HG13 ' HA ' ' A' ' 129' ' ' ASP . 76.4 t 37.41 -100.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.599 ' N ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 76.67 -67.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.083 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.99 -171.16 3.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.92 46.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 41.02 44.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.835 ' HA ' HG13 ' A' ' 124' ' ' VAL . 1.7 m-20 63.84 104.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.643 HG21 ' HB ' ' A' ' 122' ' ' THR . 4.2 tp -46.25 -23.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.549 ' C ' ' O ' ' A' ' 130' ' ' ILE . 4.4 m -25.77 -67.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.467 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -39.7 -83.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.34 -49.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -47.28 -59.03 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 134' ' ' THR . 0.1 OUTLIER -47.85 -57.78 5.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -41.2 -53.93 3.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.73 99.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.715 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.83 51.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.065 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.6 7.47 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.5 p -154.76 147.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.14 89.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.18 134.29 33.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -67.16 -44.65 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -161.78 150.97 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.0 mt -114.57 120.72 41.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.737 HD12 HD23 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -144.84 139.53 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -105.04 134.52 48.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.737 HD23 HD12 ' A' ' 146' ' ' ILE . 2.3 pp -152.44 176.22 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.5 t -125.0 -178.18 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -89.93 -61.94 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 151' ' ' ARG . 1.3 ttp-105 -63.21 -69.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 154' ' ' GLU . 76.7 p -92.22 78.18 5.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -53.61 88.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' THR . 7.4 mt-10 -54.91 -45.04 74.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 0.75 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -132.98 60.24 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.54 -2.6 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 0.793 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.88 -48.3 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.86 -19.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 91' ' ' LEU . 5.1 tp -82.43 -44.05 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.609 ' NH2' ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -60.17 -51.99 67.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.238 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 164' ' ' LYS . 6.1 m-80 -46.09 -65.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.44 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 32.6 m170 -40.22 -43.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.605 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 163' ' ' LEU . 0.2 OUTLIER -48.99 -49.84 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 161' ' ' ASN . 23.9 pttt -87.94 55.34 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -149.74 -54.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 44.7 t -92.04 20.92 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.462 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 63.86 134.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.5 pt -65.9 123.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.62 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.913 HD21 HG22 ' A' ' 169' ' ' ILE . 5.0 tp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -106.61 -45.88 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 66.17 113.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.62 160.18 26.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -175.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.878 ' HB3' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -118.97 -179.54 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 163' ' ' LEU . 5.3 p -155.51 152.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.74 129.61 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 12' ' ' ILE . 2.7 mt -129.88 83.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.65 159.0 20.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.7 -154.54 25.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.414 1.071 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.08 125.37 89.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 86.23 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.445 1.761 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 162.5 -37.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.84 61.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 36.84 84.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 -31.93 11.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.65 -41.74 10.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -50.33 -28.22 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.88 -40.34 47.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.758 HD11 ' NE2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -64.58 -42.71 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.66 -43.63 89.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.1 91.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -51.82 -67.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.603 ' HB2' ' HE1' ' A' ' 49' ' ' HIS . . . -47.71 -66.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.27 28.78 35.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -78.44 148.81 33.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 0.753 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.7 mp0 -78.82 63.16 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 31' ' ' GLU . . . 169.34 65.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 124.33 19.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tp -123.92 140.09 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.67 112.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 t -88.97 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.36 88.25 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 tt -135.63 160.84 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.96 -39.46 6.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.77 109.85 0.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -73.41 102.16 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 45' ' ' VAL . 9.8 t -47.24 120.67 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -35.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.1 p30 -70.04 -8.74 51.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.614 HG21 ' O ' ' A' ' 63' ' ' ALA . 46.1 t 69.79 -59.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.828 HD13 ' HA ' ' A' ' 61' ' ' ASP . 5.2 tp -37.84 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' VAL . 18.1 tpt180 -124.93 8.79 8.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HB3' HD13 ' A' ' 24' ' ' LEU . 67.8 mt-10 -130.65 31.75 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.758 ' NE2' HD11 ' A' ' 24' ' ' LEU . 24.4 p80 37.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.612 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.833 HG21 ' H ' ' A' ' 60' ' ' ILE . 6.6 tp -160.27 110.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -76.85 127.28 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.1 mm -115.82 83.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -41.47 -41.44 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.16 -92.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttt -121.24 141.32 32.84 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.77 4.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.33 146.19 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 69.19 139.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 50' ' ' ILE . 10.6 pt -148.83 155.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.833 ' H ' HG21 ' A' ' 50' ' ' ILE . 1.8 pp -112.21 -171.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.828 ' HA ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -156.26 143.51 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.878 HG22 ' HB3' ' A' ' 9' ' ' LYS . 8.2 p -83.67 124.7 31.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.773 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . . . -70.5 -81.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.419 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 99.77 -69.58 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 64' ' ' GLY . 0.6 OUTLIER -109.59 140.75 43.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -42.39 -51.21 4.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.03 -46.47 75.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -52.03 -47.56 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.494 ' OG ' HG21 ' A' ' 84' ' ' ILE . 8.2 t -38.04 -49.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -72.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -40.89 -33.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' ILE . 73.4 t -71.25 -55.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.67 81.84 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.2 -31.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 72' ' ' VAL . 1.2 tt -76.0 -17.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.395 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.75 3.63 34.18 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.9 mt 58.17 86.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -170.0 175.1 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' GLU . 1.1 mtm180 -38.84 124.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 81' ' ' TRP . . . -88.29 46.11 1.35 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CG ' ' O ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER 161.18 70.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' TRP . 2.0 mt-30 166.53 136.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 69.27 103.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.773 ' CG1' ' HB2' ' A' ' 63' ' ' ALA . 3.3 tp -175.33 56.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.35 106.3 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.68 ' NE2' ' HB2' ' A' ' 87' ' ' ALA . 2.1 pp0? -130.34 -165.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.68 ' HB2' ' NE2' ' A' ' 86' ' ' GLN . . . 56.36 101.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.88 -51.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.48 ' NH1' ' ND1' ' A' ' 143' ' ' HIS . 0.6 OUTLIER -130.6 116.71 18.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.515 HG21 ' OE1' ' A' ' 110' ' ' GLU . 54.8 t -93.24 133.4 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.412 1.07 . . . . 0.0 109.237 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.94 85.83 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -82.67 100.26 10.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -77.02 117.78 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.6 t -125.35 130.24 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 174.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.61 -101.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.3 p -107.53 50.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.373 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.6 m -98.7 108.28 20.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.5 t -91.73 159.84 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.5 148.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.54 -5.83 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.414 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 84.1 t -96.05 -20.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.12 -51.83 71.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.785 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.3 Cg_endo -75.03 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 108' ' ' TRP . . . -50.19 -31.31 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.55 -42.76 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.785 HG22 ' HA ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -86.19 46.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.585 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -92.43 -62.17 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.585 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.02 -6.57 18.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.567 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 5.2 mm-40 -78.55 -49.35 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -43.75 -48.4 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.2 pp -91.82 109.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB1' ' CD1' ' A' ' 115' ' ' LEU . . . -170.52 177.41 4.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -122.71 44.25 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.755 ' O ' HD22 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -159.5 154.79 21.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.74 43.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.435 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . . . -142.82 106.52 4.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -177.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 129.67 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' A' ' 148' ' ' LEU . 18.3 Cg_endo -74.96 177.36 8.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.933 ' CG2' HG23 ' A' ' 134' ' ' THR . 0.6 OUTLIER -137.01 -46.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.7 m 70.27 134.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.434 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 123' ' ' VAL . 7.3 p -105.48 55.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 130' ' ' ILE . 8.7 p -43.19 148.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -67.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.83 104.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 129' ' ' ASP . 2.3 ttmm -65.71 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.613 1.196 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.53 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -173.36 -49.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 124' ' ' VAL . 18.9 pt -61.11 -28.24 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.4 m -58.92 -66.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.34 57.11 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.81 -53.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.933 HG23 ' CG2' ' A' ' 121' ' ' ILE . 82.8 m -62.16 -70.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 110.435 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -55.03 40.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 138' ' ' SER . . . -41.27 -67.19 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 85.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -137.65 67.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.69 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.55 142.22 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -47.53 -52.66 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 65.71 146.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.48 ' ND1' ' NH1' ' A' ' 89' ' ' ARG . 10.6 t60 -41.42 -61.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -173.28 -164.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -131.56 128.89 40.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.55 111.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -70.69 151.63 44.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -167.2 -167.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' ' HB ' ' A' ' 152' ' ' THR . 0.0 OUTLIER -132.77 -165.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -108.13 -52.14 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 151' ' ' ARG . 1.7 ptm85 -106.01 -34.31 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.229 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.48 ' HB ' ' CB ' ' A' ' 149' ' ' SER . 3.3 m -64.87 -13.28 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 74.14 -93.02 0.76 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.9 -67.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . -93.87 -93.99 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 157' ' ' ASP . 76.4 t 55.25 -90.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 0.711 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 155' ' ' GLY . 14.2 t70 -48.1 -42.83 30.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 159' ' ' LEU . 37.8 t -47.81 -80.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.402 ' N ' HG12 ' A' ' 158' ' ' VAL . 2.1 pp -46.37 -38.68 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -42.65 -57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.93 -45.64 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -67.4 -28.0 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -70.73 -21.98 62.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.212 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -91.99 -56.64 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -41.36 -35.47 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 32.0 m -59.13 -46.91 87.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 164' ' ' LYS . 28.2 mtt -48.98 117.68 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -99.42 160.9 19.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.913 HG22 HD21 ' A' ' 4' ' ' LEU . 1.1 pt -48.07 107.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 0.714 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.561 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -142.9 70.67 1.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.435 0.726 . . . . 0.0 110.026 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.2 mp 42.22 64.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -160.74 86.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -121.14 178.27 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -172.18 177.65 3.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.62 174.67 18.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mtt -171.68 -176.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HB3' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -98.55 123.93 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.845 HG11 HD21 ' A' ' 163' ' ' LEU . 4.9 m -121.23 137.66 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.74 ' CG1' HG23 ' A' ' 90' ' ' VAL . 9.4 p -117.25 143.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.5 mt -123.22 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.45 -177.51 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.54 55.91 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.165 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.482 HH12 ' HB2' ' A' ' 18' ' ' ALA . 16.0 mtm105 63.87 150.56 0.11 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -74.99 112.68 3.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 5.8 t30 78.56 85.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB2' HH12 ' A' ' 15' ' ' ARG . . . -168.78 35.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.21 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.47 54.39 3.76 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 0.709 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 m -63.73 -56.74 13.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -34.71 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -63.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.702 ' C ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -40.93 -47.91 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -45.21 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.12 -26.65 4.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.7 tp -66.54 -67.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.77 117.76 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.02 -26.78 3.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' NH2' ' CD2' ' A' ' 49' ' ' HIS . 11.7 mtm-85 -50.11 150.44 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.797 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.8 mp0 -92.65 -63.46 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.4 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' GLU . . . -83.0 106.98 15.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.77 138.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.33 140.78 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -122.9 -174.36 2.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -101.91 139.24 37.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.59 ' N ' HD13 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -36.49 -42.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' N ' HG12 ' A' ' 38' ' ' ILE . . . 39.26 30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 96.13 115.08 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.529 HG22 ' NH2' ' A' ' 47' ' ' ARG . 11.9 p -52.88 122.94 10.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.415 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -59.46 148.84 31.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.25 84.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' C ' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -76.16 -4.14 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 45' ' ' VAL . 7.5 p 42.22 40.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.815 HD13 ' H ' ' A' ' 62' ' ' THR . 3.0 tp -121.43 73.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' NH2' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -109.49 15.82 22.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.163 . . . . 0.0 110.26 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.541 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -110.58 36.02 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.24 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' ' NH2' ' A' ' 30' ' ' ARG . 0.1 OUTLIER 51.38 -175.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 58' ' ' HIS . 1.4 pt -122.7 96.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -68.24 120.21 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.631 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 tp -152.88 102.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.39 -35.5 27.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -47.76 -95.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.7 151.36 37.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.97 84.07 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 5.0 t-80 -154.43 115.84 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.66 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 pp -99.82 128.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 61' ' ' ASP . 5.7 mt -123.95 160.8 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.559 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -151.09 119.4 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.815 ' H ' HD13 ' A' ' 46' ' ' LEU . 20.4 m -106.23 104.32 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.448 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.74 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -88.28 -96.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.67 18.28 14.69 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.16 162.31 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 0.795 . . . . 0.0 109.319 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -25.11 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.538 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . . . -70.41 -57.67 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.568 ' HB3' HG21 ' A' ' 84' ' ' ILE . 9.2 m -54.3 -37.08 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.14 -43.92 85.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -26.74 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.74 HG21 ' HB2' ' A' ' 63' ' ' ALA . 2.5 t -65.65 -46.09 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.65 52.7 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -165.43 -43.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -67.41 -39.9 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . -90.4 39.55 3.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.557 1.16 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' GLY . 3.7 mt 40.36 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -161.58 135.21 6.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -51.64 150.56 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.68 64.32 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -106.91 -162.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.986 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.31 129.58 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 170.52 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 69' ' ' SER . 0.9 OUTLIER -173.88 128.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.72 -169.96 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -112.28 166.82 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.81 158.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -133.74 -55.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.476 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 40.1 mmt-85 -108.25 94.06 4.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.74 HG23 ' CG1' ' A' ' 11' ' ' VAL . 7.8 p -100.34 80.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -77.21 142.09 39.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.642 ' N ' HD22 ' A' ' 91' ' ' LEU . 70.8 m-85 -105.99 156.88 17.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 mmt -129.22 117.72 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.864 HG22 ' HG2' ' A' ' 120' ' ' PRO . 6.1 m -120.16 153.99 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.06 109.14 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.59 -150.03 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 t -87.98 50.25 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.9 m -101.55 130.82 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.375 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 m -120.1 102.81 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -99.91 174.81 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -16.23 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 t -93.02 -9.35 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.515 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -60.63 -51.78 77.3 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.0 Cg_endo -75.03 -38.17 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 62.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.7 OUTLIER 169.8 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.969 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -96.26 -16.51 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.468 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -66.48 -56.49 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 107.981 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.02 55.58 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -150.16 -51.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -42.48 -38.37 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -84.84 79.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.05 -179.93 8.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.077 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -115.18 54.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.06 156.16 14.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.74 42.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 118' ' ' LYS . . . -101.11 -70.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.53 ' NZ ' HD12 ' A' ' 159' ' ' LEU . 0.4 OUTLIER 82.88 88.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 145' ' ' LEU . 4.0 mt -90.02 150.47 43.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.864 ' HG2' HG22 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.04 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 147' ' ' ARG . 5.2 mt -136.29 151.09 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -103.5 142.58 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.446 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.14 42.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 1.035 HG12 HD11 ' A' ' 130' ' ' ILE . 6.6 p -79.8 175.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.606 ' H ' HG22 ' A' ' 124' ' ' VAL . 11.8 ptp180 -52.95 177.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.36 107.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.8 76.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.383 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.2 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.035 HD11 HG12 ' A' ' 124' ' ' VAL . 17.9 mm -67.43 -64.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.2 p -42.73 -40.37 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.09 -54.98 12.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -102.32 48.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -115.31 -39.59 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -69.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -39.07 -54.27 2.5 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.13 57.01 3.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 0.842 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.3 t 70.76 -69.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.621 ' O ' HG12 ' A' ' 140' ' ' VAL . 0.3 OUTLIER 174.42 -176.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 139' ' ' GLU . 0.4 OUTLIER 73.14 152.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -98.17 88.18 4.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.99 132.05 50.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -42.5 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -153.46 142.83 21.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.543 ' C ' HD12 ' A' ' 146' ' ' ILE . 8.9 mt -106.36 115.39 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 145' ' ' LEU . 4.3 mp -129.02 129.67 68.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.469 ' HB3' ' CG2' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -83.52 152.12 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.59 174.76 4.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.5 p -139.98 171.19 14.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.068 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.96 -75.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -85.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 87.8 m -66.12 137.74 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -79.66 61.86 4.2 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.21 -70.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -131.62 71.1 0.51 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 41.8 t -102.0 -46.63 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.98 -35.33 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.53 HD12 ' NZ ' ' A' ' 118' ' ' LYS . 0.3 OUTLIER -79.42 -23.63 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -47.24 16.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -60.29 -25.8 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -91.58 21.05 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.845 HD21 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -122.01 -44.14 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -66.24 -33.72 76.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -39.88 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.476 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 23.1 m -58.41 -72.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -50.2 131.89 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.88 168.67 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 170' ' ' HIS . 4.1 mm 55.16 169.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.514 ' N ' HG22 ' A' ' 169' ' ' ILE . 2.1 t-80 87.12 113.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.36 84.85 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 14.2 t0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -124.3 148.64 47.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.94 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.5 17.59 4.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 mt -124.57 148.41 47.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.29 162.18 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -103.97 139.11 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 120.09 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.97 -166.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 151.71 46.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 10' ' ' VAL . 16.5 m -149.56 103.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.577 HG13 HG23 ' A' ' 90' ' ' VAL . 7.1 p -85.31 151.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt -129.84 88.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.87 -177.53 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.27 158.85 7.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.3 ptt85 -57.36 158.74 9.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.73 11.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.48 83.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.19 -57.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.31 68.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -110.2 -87.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 0.81 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 m -49.61 -31.1 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -44.6 83.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 HD22 ' A' ' 91' ' ' LEU . 7.6 tp -69.0 -43.08 75.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 24' ' ' LEU . 3.6 tt -43.76 -55.42 4.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' ND2' ' HB1' ' A' ' 33' ' ' ALA . 3.2 m-20 -44.07 -70.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.87 -49.73 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.94 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.49 -57.33 4.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.74 62.67 5.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -128.09 39.36 3.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 0.731 . . . . 0.0 110.25 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 54.48 169.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 42.96 81.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' HB1' ' ND2' ' A' ' 25' ' ' ASN . . . -63.23 118.8 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -103.63 124.0 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -130.98 140.97 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -136.29 151.62 49.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.93 78.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mm -56.86 159.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.52 -63.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' C ' ' HG1' ' A' ' 41' ' ' THR . . . -97.45 50.43 1.43 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 40' ' ' GLY . 77.1 p 40.64 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 p -127.37 147.1 50.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.67 -42.62 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.614 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -83.9 -0.67 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 44' ' ' ASP . 8.0 p 47.21 32.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.567 HD22 ' HA ' ' A' ' 61' ' ' ASP . 5.5 tp -110.04 99.33 8.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.06 4.51 7.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.597 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.7 mp0 -92.1 15.39 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 50.36 -175.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.779 HD13 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -130.25 166.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CE1' HH21 ' A' ' 160' ' ' ARG . 1.2 t-80 -170.48 102.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.72 87.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -41.03 -49.94 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.44 -89.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -128.82 132.94 24.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 55' ' ' MET . 18.3 Cg_endo -74.94 58.58 4.89 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.98 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -134.72 152.88 52.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.534 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.626 ' C ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -139.75 98.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.2 mt -113.65 146.35 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.567 ' HA ' HD22 ' A' ' 46' ' ' LEU . 7.1 m-20 -133.96 134.62 42.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 62' ' ' THR . 9.7 t -78.09 104.97 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 45' ' ' VAL . . . -65.31 -97.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.46 -72.28 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.108 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.1 -148.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.41 -47.72 16.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -64.13 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' VAL . . . -45.83 -53.48 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -49.05 -48.46 43.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.046 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -61.29 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -55.12 -29.91 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 63' ' ' ALA . 2.1 t -65.55 -26.89 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE1' ' CG ' ' A' ' 82' ' ' GLN . 5.0 mm-40 -90.68 -8.65 49.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 -89.81 -63.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -19.08 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.85 -20.52 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt 50.74 61.36 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.91 89.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.15 162.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.96 9.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.91 134.53 26.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 1.1 pt20 -153.18 -159.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.16 152.59 32.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -149.72 -46.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 76.97 154.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.85 179.57 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.743 ' O ' HD11 ' A' ' 115' ' ' LEU . . . -67.43 155.29 39.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.468 ' HA ' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -116.81 -7.08 11.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 1.4 tpp180 -163.91 141.14 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 11' ' ' VAL . 1.4 p -132.33 127.46 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.871 HD11 HD21 ' A' ' 159' ' ' LEU . 0.7 OUTLIER -100.19 131.6 46.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.957 ' CE2' HG22 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -124.45 104.86 8.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.455 ' HA ' ' CG ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -82.61 135.31 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.69 109.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.63 148.12 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.366 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 122' ' ' THR . . . -62.9 135.55 43.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.716 HG23 ' OE1' ' A' ' 133' ' ' GLU . 2.3 m 39.31 56.51 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.0 m -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -104.23 98.5 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' ASP . 45.6 m-20 -107.42 169.92 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.8 -9.79 59.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.01 0.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.517 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.04 -51.78 3.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.04 -36.84 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.66 -13.24 40.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.21 -42.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.957 HG22 ' CE2' ' A' ' 92' ' ' PHE . 1.1 pt -92.57 25.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.478 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -79.57 -57.75 0.69 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -16.74 20.03 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.85 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.457 ' CE1' HG23 ' A' ' 140' ' ' VAL . 0.4 OUTLIER -87.37 48.02 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 tp -174.39 76.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -178.46 157.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.57 ' C ' HD22 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -92.24 37.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.743 HD11 ' O ' ' A' ' 87' ' ' ALA . 4.2 mm? -121.53 132.62 24.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.5 Cg_endo -75.08 138.15 22.48 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.91 139.77 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 162' ' ' HIS . 0.5 OUTLIER -117.41 143.95 45.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -128.66 140.53 38.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.455 ' CG ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.99 -168.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.413 1.744 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.565 ' CG1' HD22 ' A' ' 145' ' ' LEU . 63.5 mt -145.41 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.737 ' O ' HG21 ' A' ' 130' ' ' ILE . 2.1 m -115.06 59.76 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 123' ' ' VAL . 9.8 p -72.6 67.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -91.31 -175.69 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -43.15 160.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.4 m120 64.03 86.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -5.1 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.44 -46.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.737 HG21 ' O ' ' A' ' 122' ' ' THR . 4.9 mp -80.19 -37.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.4 m -64.84 -27.44 68.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.67 -30.36 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.592 1.182 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.716 ' OE1' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -74.26 -38.45 63.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.221 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.756 ' C ' HD23 ' A' ' 135' ' ' LEU . 7.8 t -75.19 -54.43 7.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.756 HD23 ' C ' ' A' ' 134' ' ' THR . 1.6 pt? 38.72 -150.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.415 ' N ' ' HG ' ' A' ' 135' ' ' LEU . . . -76.14 62.01 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.552 ' HG3' HD11 ' A' ' 145' ' ' LEU . 1.2 mpp? 60.86 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER 159.45 -35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.756 ' O ' HG12 ' A' ' 140' ' ' VAL . 12.0 pt-20 -166.37 173.17 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 139' ' ' GLU . 6.4 p 50.75 177.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.668 ' H ' HG22 ' A' ' 140' ' ' VAL . 6.1 t-20 -102.2 122.99 45.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -78.48 136.87 18.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -73.7 -48.8 29.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.41 124.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.565 HD22 ' CG1' ' A' ' 121' ' ' ILE . 1.1 mt -104.3 97.84 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 2.5 pp -125.96 165.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.21 147.33 33.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 148' ' ' LEU . 0.0 OUTLIER -174.64 145.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.603 ' N ' HD22 ' A' ' 148' ' ' LEU . 27.3 p -125.1 128.79 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.35 64.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.38 -70.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 38.8 p -103.71 6.25 36.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.83 52.54 51.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -40.8 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 158' ' ' VAL . . . -135.4 52.33 0.8 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.3 p -77.87 -2.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -50.86 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 155' ' ' GLY . 9.4 p -59.32 -22.44 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.871 HD21 HD11 ' A' ' 91' ' ' LEU . 1.4 tm? -78.75 -57.27 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.709 HH21 ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -49.63 -51.19 39.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.384 1.052 . . . . 0.0 110.376 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -49.27 -54.3 17.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -54.43 -33.43 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.413 HD13 HD13 ' A' ' 159' ' ' LEU . 3.4 mp -79.06 -24.4 43.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.53 -48.67 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -15.57 50.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 1.4 t -79.29 -59.48 2.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 58.5 mtm -43.8 105.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -75.36 162.2 53.31 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.2 pt -57.44 120.27 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 178.17 145.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.577 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.56 161.41 40.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 13.2 t0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -166.62 128.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -118.51 -43.09 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 54.16 -176.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.375 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.4 143.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -134.74 148.44 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.63 128.66 2.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.44 ' CE ' ' HB2' ' A' ' 88' ' ' ASP . 0.6 OUTLIER -170.08 150.43 3.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.921 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.546 ' HE3' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -113.86 146.74 39.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.741 HG21 HD21 ' A' ' 163' ' ' LEU . 5.8 m -126.17 147.34 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.61 139.11 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.906 HG22 ' HB3' ' A' ' 91' ' ' LEU . 1.1 pt -123.9 77.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.76 121.03 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 93' ' ' MET . . . -151.75 -168.21 15.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.499 HH21 ' CB ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -78.42 157.99 76.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.743 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -5.08 16.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -146.73 67.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 15' ' ' ARG . . . -131.59 -67.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.68 62.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.381 1.051 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -110.08 -15.96 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -86.59 -56.69 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -55.73 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.2 pp -58.53 -29.21 66.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.02 -19.73 59.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.82 21.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -121.26 42.15 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -108.78 -47.68 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.24 -55.0 1.53 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -40.83 116.96 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.2 tp10 -38.85 148.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.651 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . 62.5 -82.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 81.82 101.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pt -85.13 154.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.4 149.04 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -116.22 160.81 19.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.29 82.75 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.49 121.84 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.31 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' THR . . . -51.0 110.19 0.91 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 13.9 p -38.53 153.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -91.1 -19.5 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 42' ' ' THR . 22.9 mmt180 66.78 -60.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -67.67 -8.76 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' ARG . 22.8 t 70.55 -60.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.15 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -140.21 23.08 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.84 63.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 44.02 -165.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.525 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 50' ' ' ILE . 3.6 mp -114.92 -38.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 50.12 87.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 52' ' ' ILE . 1.9 tp -130.34 97.18 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.3 t70 -55.52 -49.55 72.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . -37.72 -82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.7 140.97 15.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.48 58.11 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -168.33 127.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.558 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -111.3 153.66 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 61' ' ' ASP . 18.4 mm -106.62 -98.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.507 ' N ' HG22 ' A' ' 60' ' ' ILE . 1.0 OUTLIER 156.38 69.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 62' ' ' THR . 3.0 m -67.02 69.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . -76.12 -160.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.66 -65.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.57 -168.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 0.816 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -73.37 -48.18 36.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -37.34 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.182 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 25.5 t -49.1 -35.9 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' HB2' HH21 ' A' ' 74' ' ' ARG . 30.1 m-20 -80.25 -51.27 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -50.93 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.28 -19.29 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 69' ' ' SER . 16.3 mm-40 -91.9 -9.01 44.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.479 HH21 ' HB2' ' A' ' 70' ' ' ASP . 8.0 mtm180 -93.12 -50.79 5.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.927 HD13 ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -68.32 -25.15 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.74 -15.35 58.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.451 1.094 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mt 57.75 101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -172.29 75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.252 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 48.18 -92.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -174.41 -55.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.26 91.73 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 36.94 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 42.96 86.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -78.41 141.19 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' N ' HD13 ' A' ' 84' ' ' ILE . 1.3 mm-40 -82.17 135.66 35.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.32 163.02 14.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.546 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . . . -77.33 149.99 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.44 ' HB2' ' CE ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -138.04 20.13 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.716 ' N ' HD12 ' A' ' 115' ' ' LEU . 6.4 mmm-85 -164.05 154.19 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.444 HG23 ' HG ' ' A' ' 115' ' ' LEU . 21.1 t -137.17 147.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.906 ' HB3' HG22 ' A' ' 12' ' ' ILE . 3.9 tt -129.07 91.96 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' HB3' HD13 ' A' ' 119' ' ' LEU . 11.0 m-85 -72.02 162.97 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.457 ' CG ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -149.38 124.76 10.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 110.989 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.58 116.24 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -64.65 113.0 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.14 -151.41 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.7 t -96.65 42.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.0 m -101.35 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.433 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.2 m -119.38 126.33 51.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -160.84 176.31 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.484 ' C ' HG23 ' A' ' 102' ' ' VAL . . . -49.64 177.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 4.3 t 76.36 -55.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -50.38 -51.7 61.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.01 1.89 7.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -95.64 -39.99 9.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.499 ' CB ' HH21 ' A' ' 15' ' ' ARG . 0.1 OUTLIER -95.46 51.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.25 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 108' ' ' TRP . 3.9 tt -143.45 -48.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -44.41 -56.39 8.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 108.029 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.03 56.45 4.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.369 1.721 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.29 -72.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.685 ' HB2' HG11 ' A' ' 140' ' ' VAL . 3.5 t80 -46.56 -34.99 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pp -95.16 81.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.381 1.05 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.89 -98.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.4 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 89' ' ' ARG . 1.4 pt? -68.14 150.18 97.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.05 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 143' ' ' HIS . . . -152.84 169.97 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.632 ' HZ3' HD23 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -142.36 122.96 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 92' ' ' PHE . 4.2 mm? -103.98 123.25 41.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.422 ' CG ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.96 175.95 10.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.558 1.82 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.634 HD11 ' CB ' ' A' ' 145' ' ' LEU . 7.7 mt -140.1 148.31 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.594 HG22 HG12 ' A' ' 124' ' ' VAL . 66.4 m -133.17 90.03 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.726 ' HA ' HG21 ' A' ' 130' ' ' ILE . 8.8 m -98.51 83.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.594 HG12 HG22 ' A' ' 122' ' ' THR . 2.4 p -137.07 120.66 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.377 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 127' ' ' LYS . 5.3 mtp180 57.76 172.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.505 ' HB2' HD12 ' A' ' 130' ' ' ILE . 6.9 m120 69.76 -65.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 125' ' ' ARG . 1.9 mttm 68.4 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -51.7 -60.61 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.62 -40.11 71.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 1.034 HG23 HG21 ' A' ' 134' ' ' THR . 9.9 mt -89.32 78.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -162.15 -73.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.39 -48.37 60.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.79 -62.53 1.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 0.793 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . 1.034 HG21 HG23 ' A' ' 130' ' ' ILE . 21.7 p -47.22 -63.4 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -58.71 -75.54 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -37.45 -83.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER 35.13 74.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.981 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER -38.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 44.37 -150.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.685 HG11 ' HB2' ' A' ' 111' ' ' PHE . 1.2 m -106.84 179.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.63 81.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -61.33 140.35 47.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' ALA . 12.6 t-80 -59.53 -40.96 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.606 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -170.62 163.76 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.634 ' CB ' HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -132.22 113.13 12.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.751 HG21 HG11 ' A' ' 158' ' ' VAL . 13.3 mm -134.42 139.75 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -80.91 160.92 24.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.95 165.64 15.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.191 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.51 146.01 51.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -49.33 -70.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 151' ' ' ARG . 3.6 ptm85 -43.47 135.11 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 3.3 p -38.63 118.3 0.73 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 130.54 176.16 14.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 56.28 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . 81.08 -117.34 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 52.3 t 61.18 -83.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 155' ' ' GLY . 0.3 OUTLIER -51.45 -37.44 48.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 146' ' ' ILE . 16.0 t -57.02 -38.5 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.632 HD23 ' HZ3' ' A' ' 118' ' ' LYS . 3.3 mp -87.1 -22.52 25.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -37.77 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -32.36 59.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.85 -20.08 61.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.741 HD21 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -83.92 -10.81 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -22.6 15.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.21 -50.99 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 167' ' ' MET . 17.4 p -66.95 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 166' ' ' SER . 2.4 mmt 36.99 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.8 123.12 31.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.7 mt -59.91 118.28 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -168.32 152.09 5.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.16 167.67 22.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.175 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -127.49 134.5 49.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.77 -65.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.64 179.73 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.16 140.53 28.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -87.39 147.8 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.21 112.22 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.95 -160.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 111.017 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HD2' HD12 ' A' ' 60' ' ' ILE . 1.1 tptp -150.56 153.25 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 10' ' ' VAL . 13.2 p -135.65 117.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.888 ' CG1' HG22 ' A' ' 90' ' ' VAL . 14.4 p -76.86 148.58 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.578 HD13 ' HB2' ' A' ' 91' ' ' LEU . 4.5 mm -116.96 78.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -173.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.44 161.78 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -80.04 151.15 72.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.483 0.755 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 65.58 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.546 1.814 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.98 42.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.369 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.2 -53.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.08 57.12 0.02 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -61.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -41.65 88.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -45.37 79.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.825 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 9.0 mt -57.51 -54.64 44.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 49' ' ' HIS . 7.1 mt -45.37 -64.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -47.75 -35.74 10.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -54.93 -64.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 159' ' ' LEU . 0.5 OUTLIER -104.79 65.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.41 -63.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.05 -50.55 0.79 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -50.54 140.36 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.35 -58.28 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.231 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.07 84.79 2.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.63 -179.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 tp -146.54 96.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.92 143.5 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -125.19 113.6 17.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -98.0 84.06 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tp -142.18 152.29 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.217 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.91 50.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.11 126.6 8.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -72.96 -36.29 67.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.377 0.692 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 m 52.04 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -56.26 -40.7 74.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' O ' HG12 ' A' ' 45' ' ' VAL . 29.8 m-20 -59.5 -16.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.8 p 43.0 28.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.372 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -117.37 59.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -112.62 11.6 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' CA ' HD21 ' A' ' 24' ' ' LEU . 5.4 mp0 -96.24 46.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.56 ' HB2' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER 57.99 -175.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.688 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.621 HG23 HG12 ' A' ' 60' ' ' ILE . 24.2 mm -128.72 83.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -61.89 85.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.598 HG21 ' HB3' ' A' ' 58' ' ' HIS . 12.9 mm -135.19 107.32 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.2 -31.36 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.37 -65.8 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.407 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -136.02 141.69 37.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 55' ' ' MET . 18.0 Cg_endo -74.98 147.84 34.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tp 74.36 52.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.598 ' HB3' HG21 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -123.18 148.63 45.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.3 mm -133.46 148.08 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.621 HG12 HG23 ' A' ' 50' ' ' ILE . 22.9 pt -137.42 -177.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.687 ' HA ' HD13 ' A' ' 46' ' ' LEU . 26.5 m-20 -135.77 149.69 49.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 m -105.41 -62.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HA ' ' HB1' ' A' ' 68' ' ' ALA . . . 56.23 -167.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.12 -63.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.31 -166.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.38 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 65.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -173.4 -44.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.861 ' HB2' HG21 ' A' ' 84' ' ' ILE . 68.7 p -68.06 -19.29 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.995 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -29.51 13.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -53.3 46.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' ' 44' ' ' ASP . 31.0 m -57.98 -28.38 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' GLU . 14.4 mt-10 -87.24 45.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 -48.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.452 HG21 ' OD2' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -75.35 -15.49 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -109.32 40.11 2.67 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 78' ' ' GLU . 1.1 mp 69.06 -59.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 77' ' ' ILE . 96.0 mt-10 -34.26 131.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -113.85 -33.94 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 79' ' ' ARG . . . -44.43 163.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.457 ' O ' ' CE3' ' A' ' 81' ' ' TRP . 50.5 p-90 -117.91 57.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.4 173.36 11.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.52 85.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.861 HG21 ' HB2' ' A' ' 69' ' ' SER . 7.1 tp -161.19 63.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.85 152.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -79.27 163.84 24.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.13 178.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.47 -49.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 116' ' ' PRO . 64.7 mmt-85 -128.97 163.11 26.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.888 HG22 ' CG1' ' A' ' 11' ' ' VAL . 90.2 t -131.91 163.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -132.9 90.98 2.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.79 83.73 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.415 ' SD ' HD11 ' A' ' 23' ' ' LEU . 13.9 tpt -79.47 140.18 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.77 155.43 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -97.04 101.68 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.91 -137.9 7.3 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.9 t -101.88 29.76 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.7 m -84.24 129.59 34.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.488 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' THR . 1.7 t -124.87 85.72 2.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -173.91 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -7.69 57.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 7.2 p -95.14 -15.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -58.8 -52.26 75.99 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.94 -9.11 20.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -74.78 -68.42 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.83 -32.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 107' ' ' ILE . 19.1 tt -96.62 99.95 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -179.36 -59.85 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -9.65 20.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.597 1.84 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.623 ' OE2' HG21 ' A' ' 90' ' ' VAL . 9.4 mm-40 -89.36 -49.0 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -37.72 -55.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.448 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.5 pp -78.71 92.5 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.552 ' HB1' ' CD2' ' A' ' 115' ' ' LEU . . . -168.5 177.23 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -118.5 42.63 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.643 HD12 HG23 ' A' ' 90' ' ' VAL . 1.3 pt? -149.38 143.21 16.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 89' ' ' ARG . 18.0 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.08 146.35 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -93.96 177.79 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.588 HD11 ' OE1' ' A' ' 139' ' ' GLU . 0.1 OUTLIER -163.04 103.39 1.01 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.36 11.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.46 ' HB ' HG23 ' A' ' 134' ' ' THR . 1.2 pt -104.93 97.11 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -44.21 162.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.6 p -149.6 52.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.46 164.67 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.55 -176.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.427 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.8 OUTLIER -42.6 126.46 3.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.224 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.98 66.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.01 -67.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.5 -71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.728 ' C ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -64.61 98.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 130' ' ' ILE . 0.9 OUTLIER 168.75 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.55 96.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.72 -16.84 33.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 0.744 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.46 HG23 ' HB ' ' A' ' 121' ' ' ILE . 0.9 OUTLIER -64.31 -61.62 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 pp -86.29 -36.02 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.23 53.83 4.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.412 1.07 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 139' ' ' GLU . 1.0 OUTLIER -109.12 -11.1 14.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 0.724 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.9 m 50.24 -93.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.588 ' OE1' HD11 ' A' ' 119' ' ' LEU . 55.2 mt-10 47.61 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.24 154.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.08 101.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -75.15 126.03 8.51 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' A' ' 144' ' ' ALA . 57.9 t-80 -81.07 78.18 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 143' ' ' HIS . . . 74.14 146.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.38 96.23 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mp -116.05 116.38 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 167.83 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -173.02 164.53 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.52 96.38 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -45.33 -29.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -53.68 -39.3 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 35.8 p -116.7 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 112.46 51.48 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.567 1.167 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.24 -70.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.286 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -110.26 62.87 0.28 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.545 ' CG2' ' HB1' ' A' ' 26' ' ' ALA . 1.4 p -97.21 -24.79 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -95.22 -13.54 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.03 -56.97 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.685 HD12 ' N ' ' A' ' 160' ' ' ARG . 2.9 pp -61.19 -22.85 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.685 ' N ' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -71.17 -24.52 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -76.2 -32.03 58.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -95.68 20.45 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.421 HD12 ' SD ' ' A' ' 167' ' ' MET . 0.2 OUTLIER -96.19 -61.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -47.13 84.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -48.8 -62.92 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 3.5 m -49.97 -57.96 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.075 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 163' ' ' LEU . 8.8 mtt -39.77 114.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -65.81 168.04 33.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 15.9 tt -88.56 137.77 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -171.09 151.83 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.556 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -176.01 -49.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 57.8 t0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.86 129.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.502 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -63.27 174.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp 73.01 150.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.248 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -153.14 -45.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.09 171.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.71 141.32 4.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.411 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -149.87 -172.77 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.969 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.514 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -98.69 147.12 25.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.803 HG21 HD11 ' A' ' 163' ' ' LEU . 3.1 p -143.86 110.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -106.3 151.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -144.6 78.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.88 131.35 44.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.91 165.17 38.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -39.65 137.96 1.04 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 134.7 18.07 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.471 1.774 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.6 t-20 80.94 61.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.17 -46.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.0 48.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.24 -30.77 12.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -46.7 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 m -60.53 -38.99 86.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -59.39 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -42.96 -44.44 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 14.9 m-20 -84.08 82.99 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 25' ' ' ASN . . . 167.33 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -65.39 -41.71 93.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -58.03 7.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.69 64.73 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -118.53 92.08 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.238 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -39.05 -55.29 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.97 94.29 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.49 171.81 7.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tt -167.45 142.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.88 151.37 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -137.43 141.61 41.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.57 97.87 8.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.558 HD13 ' HD2' ' A' ' 47' ' ' ARG . 5.8 tp -42.15 -48.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.2 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -106.2 118.18 5.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -38.91 138.77 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.726 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 t -91.74 114.08 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -27.87 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -69.07 -18.38 63.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG11 ' O ' ' A' ' 63' ' ' ALA . 36.8 t 70.15 -59.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.52 94.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HD2' HD13 ' A' ' 38' ' ' ILE . 6.8 ttp85 -119.45 -13.2 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.562 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.51 48.74 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER 41.91 -161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 52' ' ' ILE . 15.3 tt -112.38 166.53 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.404 ' N ' ' CG1' ' A' ' 50' ' ' ILE . 12.2 t-160 -107.98 59.54 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 56' ' ' PRO . 30.0 mm -43.63 -76.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t70 69.77 -65.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -80.56 -98.55 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -105.98 133.76 20.06 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.542 0.789 . . . . 0.0 111.025 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.508 ' HA ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.05 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.81 -57.89 0.56 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.84 114.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.604 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -94.33 150.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.358 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -134.75 133.74 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CB ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -106.52 118.37 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.514 ' HB ' ' CG ' ' A' ' 9' ' ' LYS . 82.6 p -111.88 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.467 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.58 ' O ' HG11 ' A' ' 45' ' ' VAL . . . -59.11 -98.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.6 -89.87 0.14 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -177.3 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -64.31 -53.62 45.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.44 -70.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.21 -45.63 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -70.42 64.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.97 -55.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -39.89 93.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 63' ' ' ALA . 28.7 m -49.38 -45.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 78' ' ' GLU . 8.0 mm-40 -61.34 -27.97 68.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.35 -40.07 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.18 -34.1 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.81 21.02 47.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 77' ' ' ILE . 32.0 mm 47.71 84.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.7 mp0 -158.97 152.3 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 79' ' ' ARG . 22.0 ttp-105 -76.68 131.94 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.23 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.6 t90 66.55 70.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 108.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -70.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.32 165.92 3.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -177.56 131.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -79.27 165.71 22.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 150.0 29.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.01 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -122.16 -64.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -110.98 143.85 41.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.493 HG13 ' CB ' ' A' ' 117' ' ' ALA . 12.2 p -136.69 130.51 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.525 HD11 ' NZ ' ' A' ' 118' ' ' LYS . 9.4 tt -139.65 95.66 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.553 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 17.2 p90 -97.13 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 tpt -64.6 148.82 50.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' A' ' 92' ' ' PHE . 88.6 t -118.49 139.11 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.14 108.97 10.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.05 -154.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.424 1.078 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 t -77.43 -39.53 46.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -47.6 120.16 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 m -112.8 92.77 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.83 172.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.23 -10.85 59.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.448 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 34.6 t -94.17 -17.38 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.78 -51.74 73.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.66 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.3 Cg_endo -74.97 -28.49 9.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 102' ' ' VAL . . . -64.21 -30.53 71.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -28.85 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.66 HG22 ' HA ' ' A' ' 104' ' ' PRO . 1.5 tp -106.64 26.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.3 -51.46 34.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.08 -42.09 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.541 1.811 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.499 ' CB ' ' CD1' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -46.04 -52.66 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.338 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -37.75 -55.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.618 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 1.1 pt -93.58 107.85 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 167.57 127.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -68.78 72.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 115' ' ' LEU . 4.3 pp -161.18 133.23 4.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.1 Cg_endo -74.97 146.66 33.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.493 ' CB ' HG13 ' A' ' 90' ' ' VAL . . . -128.12 -173.1 2.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.85 ' HD3' ' HB3' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -140.18 160.62 39.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -141.72 116.03 6.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.0 133.72 16.92 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 145' ' ' LEU . 10.8 mm -82.01 148.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.583 ' CG2' HG22 ' A' ' 124' ' ' VAL . 16.7 m -101.88 115.04 29.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.088 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 123' ' ' VAL . 65.8 t -114.23 46.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.583 HG22 ' CG2' ' A' ' 122' ' ' THR . 19.7 m -125.57 162.33 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.59 -162.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.18 133.96 56.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -73.83 -20.81 60.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.11 76.3 10.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.33 -41.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.568 HD13 ' O ' ' A' ' 122' ' ' THR . 55.4 mt -51.44 -70.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.595 1.184 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 134' ' ' THR . 3.6 t -39.52 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.461 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 130' ' ' ILE . . . -69.82 -51.15 25.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -63.91 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.338 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 131' ' ' THR . 4.8 t -40.07 -50.65 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.446 ' N ' HG23 ' A' ' 134' ' ' THR . 10.0 mt -41.39 -53.13 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -113.98 47.6 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER -36.6 -38.72 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.4 m 172.28 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.49 96.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 117.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 86.2 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -81.98 144.86 24.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 1.4 t-80 -40.25 -53.33 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 0.819 . . . . 0.0 109.571 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.85 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . . . -153.98 -171.09 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -166.91 105.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 6.9 mt -133.16 144.57 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.535 ' HE ' HG21 ' A' ' 123' ' ' VAL . 6.8 ptp85 -47.55 157.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.46 HD13 ' H ' ' A' ' 149' ' ' SER . 0.1 OUTLIER -153.11 152.4 31.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.46 ' H ' HD13 ' A' ' 148' ' ' LEU . 4.1 t -148.31 148.55 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.46 -75.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 154' ' ' GLU . 23.8 m -71.89 81.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -52.1 89.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 152' ' ' THR . 1.8 mm-40 -56.21 -50.8 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.41 ' O ' HD21 ' A' ' 148' ' ' LEU . . . -137.79 71.85 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.54 -12.55 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.12 -17.86 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 26.7 m -87.86 -4.99 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 159' ' ' LEU . 0.1 OUTLIER -105.64 -30.05 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.524 ' HG3' HD11 ' A' ' 27' ' ' LEU . 7.0 ttm180 -61.48 -34.96 76.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -55.02 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -43.82 -40.02 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.803 HD11 HG21 ' A' ' 10' ' ' VAL . 3.1 mm? -70.9 -45.5 64.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 53.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.58 -45.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 28.9 p -75.55 -14.44 60.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.079 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.7 114.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -84.4 155.0 30.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 170' ' ' HIS . 1.9 pp -50.96 175.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.429 ' HB2' HD12 ' A' ' 169' ' ' ILE . 2.4 t-80 73.14 155.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -24.64 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.46 82.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 0.715 . . . . 0.0 110.037 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.36 -66.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.58 156.96 37.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -113.9 169.83 8.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.66 -177.79 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 113.3 1.02 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.458 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -178.0 132.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 111.017 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.666 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -65.2 -174.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.19 131.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.326 1.016 . . . . 0.0 109.375 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 90' ' ' VAL . 59.5 t -90.32 151.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 12' ' ' ILE . 71.2 mt -142.16 69.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.57 -167.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.88 -170.5 16.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.67 157.7 38.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 142.07 27.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 72.42 71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.04 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' SER . . . -179.02 -124.51 0.88 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.7 -75.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' GLY . 99.8 p -50.26 -31.47 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -83.14 -48.96 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -48.96 -66.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -41.11 -60.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -47.81 -50.74 25.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 156' ' ' VAL . . . -51.31 -48.18 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.32 53.38 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.74 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 -56.07 0.71 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -61.06 143.97 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -60.06 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 148.86 28.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 25' ' ' ASN . . . -116.45 125.87 52.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mt -125.12 110.69 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.68 138.57 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.8 p -112.5 129.78 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -99.31 78.96 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.738 ' H ' HD13 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -123.26 140.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.01 54.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -141.67 126.78 3.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -84.9 93.45 8.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 0.741 . . . . 0.0 110.434 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.3 p -46.12 145.12 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -48.44 68.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.724 ' CB ' HG23 ' A' ' 72' ' ' VAL . 2.5 p30 -66.4 -17.86 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.1 p 47.69 30.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.964 HD12 HG23 ' A' ' 62' ' ' THR . 0.2 OUTLIER -123.28 65.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 13.39 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.48 42.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.8 t60 50.14 -172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 0.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.756 ' HB ' HD12 ' A' ' 60' ' ' ILE . 4.0 pt -144.53 83.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -42.68 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.619 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 52' ' ' ILE . 9.0 tp -125.95 102.11 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.626 1.204 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.03 96.74 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.69 -75.63 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.75 147.9 60.27 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.454 0.738 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -38.46 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.08 90.61 0.86 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.484 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -176.55 90.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 109.637 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.35 130.31 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.756 HD12 ' HB ' ' A' ' 50' ' ' ILE . 59.3 mt -109.52 165.92 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.543 ' HA ' HD13 ' A' ' 46' ' ' LEU . 11.3 m-20 -139.6 131.75 28.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.964 HG23 HD12 ' A' ' 46' ' ' LEU . 78.4 p -114.09 50.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.458 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.09 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 88.44 20.27 49.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -171.8 177.31 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.86 -21.09 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.43 -48.93 8.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.99 -4.55 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -77.69 -52.65 8.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.57 -43.71 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.21 -47.3 62.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.724 HG23 ' CB ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -72.4 -21.01 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.14 49.17 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -167.64 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.42 27.14 21.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.7 mt 44.87 86.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.23 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -155.73 160.45 40.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.245 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.97 168.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.247 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.13 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -101.81 -175.4 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 108.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.88 -175.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.27 156.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 72' ' ' VAL . 97.0 mt 64.34 151.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 86' ' ' GLN . 38.1 tt0 -136.07 -62.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.5 mt-30 166.13 145.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' A' ' 9' ' ' LYS . . . -77.48 161.73 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.45 42.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.536 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -175.66 126.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 116' ' ' PRO . 7.3 p -130.63 99.1 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.718 HD21 HD22 ' A' ' 159' ' ' LEU . 1.2 tp -77.33 89.14 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.468 ' O ' HD13 ' A' ' 119' ' ' LEU . 1.1 t80 -88.78 105.59 17.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.42 ' HE3' ' HB2' ' A' ' 93' ' ' MET . 3.0 ptm -96.22 162.03 13.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.568 HG22 ' HG2' ' A' ' 120' ' ' PRO . 35.5 m -136.47 176.24 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 2.9 t0 -119.3 114.74 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASP . . . 36.97 -150.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 129' ' ' ASP . 10.6 t -83.8 2.45 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 p -78.82 87.25 4.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 m -104.28 69.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -166.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.69 37.34 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.7 p -116.73 -35.67 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.568 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.13 -48.68 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -75.01 -2.83 13.05 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -102.88 -9.17 20.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.94 -0.37 14.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 139' ' ' GLU . 4.0 tt -92.75 -7.45 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.471 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -64.98 -55.74 25.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.0 Cg_endo -75.02 55.57 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -169.3 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.603 ' CE1' HG23 ' A' ' 140' ' ' VAL . 13.3 t80 -39.67 -41.74 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -101.33 113.21 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 172.15 -178.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -105.42 -18.14 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 89' ' ' ARG . 1.5 pt? -81.65 141.91 48.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.553 ' O ' HG12 ' A' ' 90' ' ' VAL . 18.8 Cg_endo -74.92 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.13 130.81 18.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.439 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -103.33 124.11 48.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 92' ' ' PHE . 3.3 mm? -116.49 134.46 22.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.568 ' HG2' HG22 ' A' ' 94' ' ' VAL . 18.5 Cg_endo -74.98 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.43 HD11 ' O ' ' A' ' 145' ' ' LEU . 57.2 mt -141.74 -49.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.416 HG22 ' CG1' ' A' ' 124' ' ' VAL . 2.5 m 69.64 74.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.634 1.209 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 124' ' ' VAL . 9.1 p -56.62 -56.18 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.555 ' N ' HG13 ' A' ' 123' ' ' VAL . 17.8 m 34.15 -147.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.208 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.461 ' N ' HG23 ' A' ' 124' ' ' VAL . 6.6 mtt85 -61.57 114.42 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.543 ' HA ' HG21 ' A' ' 130' ' ' ILE . 2.1 p-10 -69.72 59.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -78.59 -173.71 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.21 55.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' CG ' HG21 ' A' ' 97' ' ' THR . 30.8 m-20 -149.97 -45.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.543 HG21 ' HA ' ' A' ' 126' ' ' ASN . 1.0 OUTLIER -39.32 -33.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.419 ' N ' ' C ' ' A' ' 129' ' ' ASP . 6.7 m -83.66 -52.68 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.33 -11.56 34.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 129' ' ' ASP . 25.2 tp10 -99.22 -52.94 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -41.63 -43.4 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -31.55 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.75 -42.83 53.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 61.76 3.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.47 43.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 5.1 pt-20 -102.65 102.82 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.603 HG23 ' CE1' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 72.33 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -81.76 114.02 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.95 -110.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.85 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 0.731 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.564 ' HB1' HD12 ' A' ' 146' ' ' ILE . . . -109.74 -34.8 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.43 ' O ' HD11 ' A' ' 121' ' ' ILE . 28.8 mt 45.87 71.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.564 HD12 ' HB1' ' A' ' 144' ' ' ALA . 42.7 mt -129.72 147.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 168.81 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.233 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.32 -177.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.44 156.58 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.04 -84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -61.55 -71.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 152' ' ' THR . 32.6 m -72.32 60.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.448 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -54.14 98.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.33 -51.37 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.519 ' O ' HG22 ' A' ' 158' ' ' VAL . . . -127.23 73.92 0.44 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.599 HG11 ' HB1' ' A' ' 26' ' ' ALA . 6.1 t -95.45 -23.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 160' ' ' ARG . 3.1 p30 -73.39 -44.15 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 155' ' ' GLY . 28.0 m -40.3 -42.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.718 HD22 HD21 ' A' ' 91' ' ' LEU . 1.5 mt -68.06 -47.32 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.0 OUTLIER -51.28 -55.78 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -50.41 -44.06 54.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.423 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 46.5 m-70 -94.2 50.19 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.24 -50.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.62 1.2 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -14.75 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.92 -32.39 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -65.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.434 ' HB3' ' CB ' ' A' ' 8' ' ' MET . 3.0 mmm -146.07 157.63 43.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -171.13 -46.48 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -35.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -57.8 136.87 57.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -167.68 -48.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.595 1.184 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m -87.86 -64.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.76 69.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tp -164.35 -53.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 71.8 147.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.3 119.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.96 175.89 20.57 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.444 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER 175.1 -176.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -120.08 160.12 23.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.237 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG21 HD11 ' A' ' 163' ' ' LEU . 7.7 p -136.13 108.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.597 HG13 HG22 ' A' ' 90' ' ' VAL . 8.7 p -88.8 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.809 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -133.38 129.95 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.65 130.65 53.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.54 143.55 8.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.26 157.12 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.43 5.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.817 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.643 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 169.63 164.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 79.9 58.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 -107.43 2.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptm 71.58 -77.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.407 0.71 . . . . 0.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -72.97 -35.95 67.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.466 ' HB3' ' HB1' ' A' ' 150' ' ' ALA . 0.5 OUTLIER -47.45 -55.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.508 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.83 -40.29 79.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.832 HD21 ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -48.54 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.52 -66.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB1' HG21 ' A' ' 156' ' ' VAL . . . -45.16 -53.77 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.73 -59.47 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ARG . . . 112.52 -50.8 0.74 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 6.9 mtt180 -38.86 112.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -38.87 -58.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.56 99.48 10.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.44 168.25 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.03 127.22 67.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.94 127.15 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.8 p -125.64 120.38 30.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.396 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 105.52 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.583 HD13 ' N ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -168.28 145.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.583 ' N ' HD13 ' A' ' 38' ' ' ILE . . . -83.7 60.49 5.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.96 -44.85 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 41' ' ' THR . 52.0 m 51.48 49.24 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.436 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.3 142.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -12.17 60.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.61 -2.69 54.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.701 HG11 ' O ' ' A' ' 63' ' ' ALA . 69.8 t 66.56 -68.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' ASP . 12.1 tp -38.36 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.38 17.36 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.832 ' HA ' HD21 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -125.02 52.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.8 m80 45.41 -169.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 tp -123.14 144.02 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -105.21 101.08 10.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.95 121.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -55.83 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.92 27.51 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.21 162.71 21.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.73 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.11 37.68 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -117.14 102.06 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.58 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.54 143.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 8.2 mt -124.06 -66.36 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 60' ' ' ILE . 1.5 m-20 81.52 97.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 53.7 m -45.79 -48.91 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.063 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.701 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 61.5 -162.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.77 -85.74 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.39 137.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 mtt85 61.21 -90.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 72' ' ' VAL . . . -47.34 -33.93 6.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.7 m -81.34 52.31 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -166.67 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -33.24 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.635 HG11 ' HB2' ' A' ' 63' ' ' ALA . 13.8 m -64.65 -17.53 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.178 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.57 -34.17 12.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -70.31 -44.76 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.96 -40.21 88.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 77' ' ' ILE . . . -86.7 6.54 82.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.405 ' CG1' ' C ' ' A' ' 76' ' ' GLY . 1.2 pt 39.82 85.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -161.01 87.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.05 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.66 -54.69 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.16 103.34 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -93.12 -75.83 0.49 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -174.64 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER 62.13 141.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -102.86 170.8 7.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.115 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -102.82 128.6 49.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.33 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.87 54.07 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 175.73 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.682 HG11 ' HG2' ' A' ' 110' ' ' GLU . 53.4 t -103.0 134.49 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 118' ' ' LYS . 14.9 tp -137.61 113.96 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.17 122.91 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.71 154.96 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -149.68 142.95 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -66.93 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.31 -75.2 0.2 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.726 ' O ' HG22 ' A' ' 97' ' ' THR . 3.2 m -103.76 41.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 0.81 . . . . 0.0 110.389 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.3 p -123.05 141.56 51.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -141.9 146.46 35.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -167.2 -167.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.94 17.46 24.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.25 -29.33 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.587 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.79 -47.7 3.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.186 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.1 -11.32 21.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.85 59.33 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 0.9 OUTLIER 171.96 -32.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.41 ' CG1' ' HA ' ' A' ' 104' ' ' PRO . 2.3 pp -77.68 -39.58 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -56.99 -59.74 11.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.046 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.682 ' HG2' HG11 ' A' ' 90' ' ' VAL . 1.2 tp10 -146.97 -60.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.509 ' HB2' HG21 ' A' ' 140' ' ' VAL . 3.3 t80 -37.1 -40.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 41.8 mm -69.29 78.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.743 ' HB1' HD21 ' A' ' 115' ' ' LEU . . . -172.92 162.52 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.88 61.14 1.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.743 HD21 ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -156.02 142.03 12.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.3 Cg_endo -75.05 142.39 27.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.72 120.32 21.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.418 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 1.4 mtmm -84.11 170.64 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.7 tp -141.39 117.19 7.25 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.2 Cg_endo -75.01 131.48 14.33 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 134' ' ' THR . 27.3 mm -109.34 137.38 41.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.433 ' O ' HD13 ' A' ' 130' ' ' ILE . 14.8 t -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 123' ' ' VAL . 7.3 p -149.16 42.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.689 HG22 ' HD3' ' A' ' 125' ' ' ARG . 11.8 p -85.29 78.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.689 ' HD3' HG22 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 35.48 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 125' ' ' ARG . 15.7 t-20 -50.18 -72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.517 ' HB3' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 39.93 83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 44.42 27.28 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER 64.68 128.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.8 ' O ' HD12 ' A' ' 130' ' ' ILE . 1.8 pp -106.4 54.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.232 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.3 m -140.61 -63.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -38.75 -49.94 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.97 -49.3 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.469 HG23 HD12 ' A' ' 121' ' ' ILE . 11.0 m -39.85 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.78 -15.59 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.64 -45.72 82.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.1 ptp -86.12 60.8 6.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.5 p -103.63 36.45 2.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -42.91 -54.57 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 111' ' ' PHE . 54.0 t -121.9 146.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -63.92 79.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -48.13 135.23 17.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -43.9 -49.88 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.507 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.08 167.96 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 46.2 mt -126.27 110.79 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 13.0 mm -136.18 139.27 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -80.26 148.14 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.1 tp -132.06 136.31 47.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.508 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 28.8 t -109.54 -33.88 6.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.952 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 72.35 -61.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -41.15 -62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 5.4 t -107.99 17.39 22.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 39.92 68.44 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -121.12 42.49 1.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.448 HG21 ' HB1' ' A' ' 26' ' ' ALA . 2.2 p -70.76 -11.5 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.53 -29.57 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 33.4 t -66.2 -37.54 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 16.3 mt -91.84 21.6 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -123.79 -41.93 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -70.37 -57.08 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.66 -27.19 68.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 10' ' ' VAL . 2.8 tt -67.88 -49.37 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.05 -25.59 65.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.183 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -45.55 61.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 13.9 t -49.66 -44.53 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.1 mtm -52.68 104.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 -177.05 21.97 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 5.7 mt -64.85 144.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 1.0 OUTLIER 82.41 152.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.11 -9.46 12.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.614 1.196 . . . . 0.0 109.378 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -50.02 94.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.958 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -125.15 -61.93 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.45 -174.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.61 141.22 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.0 170.34 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 120.97 0.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.25 163.28 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.857 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -109.51 157.24 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.716 HG11 HD21 ' A' ' 163' ' ' LEU . 9.8 p -143.3 145.96 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.734 HG13 HG22 ' A' ' 90' ' ' VAL . 8.0 p -117.26 147.87 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.434 HD12 ' OE1' ' A' ' 48' ' ' GLU . 2.9 mt -129.0 73.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.59 160.38 28.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.94 168.57 24.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.56 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -71.07 155.87 92.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.12 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.44 75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.062 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . . . -152.15 -48.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.5 68.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -116.19 -40.22 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -67.43 -55.65 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m -57.75 -44.61 86.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -48.25 73.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -50.44 -49.92 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -44.2 -53.73 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.8 -60.15 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.753 HD11 ' CD1' ' A' ' 163' ' ' LEU . 1.2 tt -76.36 69.56 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . 178.09 -65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.48 -117.67 2.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 39.27 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -40.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -62.38 -72.73 0.12 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 71.01 95.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -124.92 123.89 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -110.66 152.56 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.2 p -106.61 136.99 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -97.76 71.99 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.9 153.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.34 -43.89 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.31 127.68 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 p -77.32 111.92 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.0 m -63.6 113.31 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -56.5 -39.97 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -63.87 -14.11 50.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 44' ' ' ASP . 25.4 t 67.74 -60.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 60' ' ' ILE . 14.1 tp -38.32 98.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -138.26 14.99 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' OE1' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -118.79 53.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 46.47 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.629 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.729 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -135.51 88.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -51.46 99.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.578 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 55' ' ' MET . 2.4 mp -63.6 -83.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 3.2 t70 77.35 -60.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.61 -96.46 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.766 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -115.83 159.38 39.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.767 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.21 2.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.454 1.765 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 72.91 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -156.35 117.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.582 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.67 122.72 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.541 ' O ' HD22 ' A' ' 46' ' ' LEU . 10.2 mt -109.63 152.39 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.83 112.94 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.857 HG22 ' HB2' ' A' ' 9' ' ' LYS . 75.8 p -83.92 67.63 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' CB ' HG21 ' A' ' 84' ' ' ILE . . . -54.0 174.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.33 -58.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.579 1.174 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.9 165.44 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.384 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.57 -51.1 64.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.74 -62.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -46.25 -57.99 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.47 -32.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -89.78 -49.95 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.55 -50.64 52.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 68' ' ' ALA . 25.9 m -54.65 -49.54 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' N ' HG23 ' A' ' 72' ' ' VAL . 5.7 mm-40 -57.7 -24.51 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.365 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -75.48 -34.57 60.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.236 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.1 mm -75.89 -31.04 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.13 8.05 80.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.514 ' O ' HG22 ' A' ' 77' ' ' ILE . 28.0 mm 50.14 63.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -174.44 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.67 156.36 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.75 -58.32 8.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -91.86 114.6 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -166.43 134.33 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -69.8 144.37 52.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.412 HG21 ' CB ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -142.13 128.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.234 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.55 154.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.69 175.84 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.3 135.27 38.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.889 ' C ' HD12 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -122.61 -54.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 166' ' ' SER . 58.2 mtt180 -125.87 137.35 53.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.734 HG22 HG13 ' A' ' 11' ' ' VAL . 3.0 t -111.03 148.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.52 HD22 ' C ' ' A' ' 90' ' ' VAL . 1.6 mm? -114.74 68.98 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CE1' HG12 ' A' ' 107' ' ' ILE . 5.3 t80 -62.83 107.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 mmt -98.3 121.61 40.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 96' ' ' GLY . 20.9 t -131.72 135.1 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.58 -36.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.703 ' H ' HG12 ' A' ' 94' ' ' VAL . . . 81.85 29.25 39.24 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.7 m -155.81 -47.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 98' ' ' THR . 3.7 t -97.58 117.97 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.9 m -111.38 71.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 110.393 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.33 178.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.58 3.82 42.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 23.7 t -99.39 -30.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -54.1 -51.68 75.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.05 -11.48 21.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -75.54 -9.05 58.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.71 8.23 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -109.6 -34.64 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.213 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.472 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.77 -56.57 9.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 109' ' ' PRO . 3.3 mt-10 -166.63 -50.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.353 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -39.73 -46.59 1.91 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.736 ' C ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -84.45 96.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.87 -164.4 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.3 51.96 1.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.889 HD12 ' C ' ' A' ' 88' ' ' ASP . 0.3 OUTLIER -151.87 142.68 15.32 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 158.58 41.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.51 164.56 27.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -115.26 145.46 42.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.37 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 145' ' ' LEU . 0.3 OUTLIER -144.36 118.56 5.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.3 Cg_endo -74.96 147.3 33.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 122' ' ' THR . 12.6 mm -75.24 -125.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.645 HG23 ' HB ' ' A' ' 130' ' ' ILE . 1.5 t -177.35 138.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.442 ' HA ' ' CD1' ' A' ' 130' ' ' ILE . 11.1 p -148.74 36.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.9 m -112.88 175.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.49 -161.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -61.46 -178.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -94.91 -50.99 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.8 75.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.15 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.645 ' HB ' HG23 ' A' ' 122' ' ' THR . 3.4 pt -93.09 22.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -115.61 -49.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.64 -66.55 2.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -42.04 -42.92 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 0.808 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -47.06 -80.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.452 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.85 -41.06 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.47 -45.25 29.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 95.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.9 t -149.76 52.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -62.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.27 147.44 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -46.79 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 64.13 145.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -96.21 -54.94 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.612 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -107.67 150.14 27.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 119' ' ' LEU . 4.0 mt -143.44 60.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 9.8 mm -122.32 135.93 60.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.431 ' HA ' ' CB ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -70.63 179.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 110.345 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.59 HD13 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER 179.81 154.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 153' ' ' GLY . 6.0 p -133.66 100.91 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.012 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -43.49 -60.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 10.0 t -126.91 15.97 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 50.61 71.55 0.62 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -60.75 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.2 69.45 0.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.493 HG22 HD11 ' A' ' 148' ' ' LEU . 39.0 t -88.68 -32.08 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.16 47.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.59 HD12 HD13 ' A' ' 148' ' ' LEU . 7.3 mt -152.4 -48.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -19.69 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 164' ' ' LYS . 63.5 m-20 -71.66 -70.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.437 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 4.8 m80 -40.07 -48.72 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.753 ' CD1' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.55 -48.04 48.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 161' ' ' ASN . 0.0 OUTLIER -87.12 47.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -145.67 -46.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.241 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 89' ' ' ARG . 60.1 p -70.12 -22.16 63.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -58.76 132.74 54.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -98.55 158.38 20.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 pt -76.95 96.7 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.92 169.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.556 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.86 87.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 12.8 t0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.28 127.31 47.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tp -132.06 62.07 1.65 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.4 mt -146.12 -67.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.22 132.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 168' ' ' GLY . 0.0 OUTLIER -120.83 166.44 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.2 115.16 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.481 ' CB ' ' HB3' ' A' ' 167' ' ' MET . 0.0 OUTLIER 176.87 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.891 ' HB3' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -107.22 -162.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 9' ' ' LYS . 1.4 m -150.75 -174.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.683 HG12 HG22 ' A' ' 90' ' ' VAL . 9.4 p -135.05 128.74 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.774 HG22 ' HG ' ' A' ' 91' ' ' LEU . 2.6 pp -129.9 113.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.03 159.36 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.01 -166.14 33.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 135.55 1.36 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.68 33.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.1 t30 42.19 64.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.98 32.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' HD13 ' A' ' 23' ' ' LEU . . . 95.27 60.57 1.05 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.112 . . . . 0.0 111.046 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 -64.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 0.811 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -59.58 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.87 -37.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 150' ' ' ALA . 0.4 OUTLIER -60.93 -56.88 15.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.393 1.058 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -48.01 -54.38 13.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -43.1 -50.62 6.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.7 -58.94 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 163' ' ' LEU . 5.0 tp -50.99 -66.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -45.92 -59.08 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.31 59.41 7.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -115.58 115.42 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.384 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -39.28 111.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.84 90.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.28 -178.93 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 34' ' ' ILE . 1.9 tt -138.63 110.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.193 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.0 133.33 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 p -112.11 173.02 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -131.02 81.93 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.518 HG21 ' HD2' ' A' ' 47' ' ' ARG . 10.7 tp -61.18 143.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.27 -58.38 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.75 38.91 3.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 42' ' ' THR . 1.7 m 42.6 -157.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 0.736 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.533 ' H ' HG22 ' A' ' 41' ' ' THR . 54.6 m -141.34 141.67 33.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.9 84.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.588 ' HB3' HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -76.41 -4.83 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 44' ' ' ASP . 7.7 p 43.22 31.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -107.63 76.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.518 ' HD2' HG21 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -112.72 11.47 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' HIS . 25.5 mm-40 -106.7 23.64 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLU . 60.8 m80 46.65 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.535 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.762 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -139.46 149.16 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.471 ' CE1' ' NH2' ' A' ' 160' ' ' ARG . 6.7 t-80 -125.75 140.93 52.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 tp -142.71 97.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.07 95.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.7 -128.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.64 120.17 5.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.25 14.96 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.9 70.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -157.21 135.22 10.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.5 mm -139.75 114.47 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 61' ' ' ASP . 9.3 mt -95.46 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.611 ' OD1' HD11 ' A' ' 84' ' ' ILE . 3.5 p-10 -144.67 148.71 34.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.891 HG22 ' HB3' ' A' ' 9' ' ' LYS . 43.3 p -110.72 69.0 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.467 ' HA ' HG21 ' A' ' 72' ' ' VAL . . . -51.61 -96.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 55.01 19.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.24 163.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -24.74 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -93.3 -49.43 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -55.76 -39.27 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.619 1.199 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -47.55 -33.56 6.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -80.61 -67.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.85 -23.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 68' ' ' ALA . 4.7 t -67.5 -43.56 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -36.64 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -66.65 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -23.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.97 4.82 84.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm 50.94 64.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.09 -178.68 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' TRP . 2.3 mtm180 -97.43 134.58 40.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 66.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.383 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -155.36 -53.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -46.08 128.98 9.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -56.29 178.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.611 HD11 ' OD1' ' A' ' 61' ' ' ASP . 5.2 tp -155.73 119.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.15 132.19 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -88.28 156.49 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.92 171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.499 ' OD1' ' CE ' ' A' ' 167' ' ' MET . 41.9 m-20 -156.88 -53.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.8 tpt85 -100.93 148.77 24.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.683 HG22 HG12 ' A' ' 11' ' ' VAL . 91.8 t -139.8 161.79 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.774 ' HG ' HG22 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.4 103.69 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' O ' ' CG ' ' A' ' 92' ' ' PHE . 35.3 p90 -107.42 107.85 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 150.97 43.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.85 130.06 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.27 103.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.211 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.82 -128.44 1.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.864 HG23 HG21 ' A' ' 122' ' ' THR . 37.5 p -110.99 78.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.8 p -123.11 121.21 35.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -107.27 107.12 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.31 176.73 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.9 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.9 p -94.46 2.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.53 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.66 -51.19 3.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.99 1.02 8.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.446 1.761 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -47.8 -31.03 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -149.15 57.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' A' ' 104' ' ' PRO . 62.8 mt -131.11 -61.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.502 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.4 OUTLIER -40.92 -53.92 5.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -160.76 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' ALA . 6.8 mm-40 68.3 -68.74 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.551 ' CG ' HG11 ' A' ' 140' ' ' VAL . 7.7 t80 -46.71 -26.22 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.3 pt -68.44 -39.16 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.673 ' HB3' ' CD2' ' A' ' 115' ' ' LEU . . . -63.31 -172.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 114' ' ' ARG . 4.0 ttm105 -101.57 66.77 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.673 ' CD2' ' HB3' ' A' ' 113' ' ' ALA . 2.2 pt? -169.7 112.71 0.49 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.84 42.97 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.26 147.89 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.881 ' HG2' ' HB3' ' A' ' 144' ' ' ALA . 17.1 mttp -83.73 156.92 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.584 HD23 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -116.81 131.17 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.584 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.99 162.77 36.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.556 HD13 HG23 ' A' ' 134' ' ' THR . 1.2 mm -133.85 122.93 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.864 HG21 HG23 ' A' ' 97' ' ' THR . 9.9 t -78.13 140.96 39.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.8 p -148.07 51.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 125' ' ' ARG . 1.6 p -145.65 -169.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.692 ' H ' HG22 ' A' ' 124' ' ' VAL . 7.4 ptp180 41.45 -161.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.74 174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -101.98 -35.76 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.57 50.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.63 -45.97 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.57 ' HA ' HG23 ' A' ' 122' ' ' THR . 4.3 mt -45.16 -32.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' GLY . 13.1 t -102.9 -24.69 13.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' THR . . . -35.66 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.4 49.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.556 HG23 HD13 ' A' ' 121' ' ' ILE . 47.2 m -115.9 -49.98 2.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -39.41 20.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -88.21 42.84 3.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.97 81.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' GLU . 0.5 OUTLIER -43.5 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.969 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 140' ' ' VAL . 0.6 OUTLIER 37.93 84.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.794 HG23 ' N ' ' A' ' 141' ' ' ASN . 1.1 m 38.23 -157.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.794 ' N ' HG23 ' A' ' 140' ' ' VAL . 4.4 p-10 -104.11 101.17 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.32 144.7 32.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.108 . . . . 0.0 110.961 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -102.18 -37.33 8.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.624 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.881 ' HB3' ' HG2' ' A' ' 118' ' ' LYS . . . -143.51 122.66 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.445 HD22 ' HB2' ' A' ' 119' ' ' LEU . 2.1 mm? -111.48 79.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.495 ' CD1' ' HB1' ' A' ' 144' ' ' ALA . 3.4 mp -115.6 162.5 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 146' ' ' ILE . 0.2 OUTLIER -120.14 170.03 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -173.9 154.01 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 151' ' ' ARG . 11.8 t -115.7 -0.14 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.502 ' HB2' HD12 ' A' ' 23' ' ' LEU . . . 64.77 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.2 OUTLIER -39.95 -50.6 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 11.1 m -83.13 -60.88 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.63 39.84 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 154' ' ' GLU . 4.7 pt-20 -81.99 67.59 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.03 59.77 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' LEU . 54.0 t -116.16 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.59 58.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.401 ' H ' HG12 ' A' ' 158' ' ' VAL . 2.3 p -58.51 -24.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 156' ' ' VAL . 0.7 OUTLIER -91.43 -34.22 14.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.471 ' NH2' ' CE1' ' A' ' 51' ' ' HIS . 25.8 ttt180 -62.59 -26.49 68.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -74.67 -42.15 58.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -70.31 -11.57 61.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.524 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 91' ' ' LEU . 1.1 mp -91.02 8.25 36.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.05 -46.7 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -33.6 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 6.0 p -46.7 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.499 ' CE ' ' OD1' ' A' ' 88' ' ' ASP . 4.3 tpp -135.05 115.2 13.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' GLU . . . -113.41 -84.73 1.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.7 mt -41.39 120.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -178.52 124.29 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.67 138.56 22.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 9.0 t70 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 56.62 107.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.995 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD23 HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -105.41 -52.97 2.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.365 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.459 HD12 HD23 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -89.69 134.94 33.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 106.9 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -176.94 6.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.02 134.89 3.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttp -173.69 142.66 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CD ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -101.36 162.96 12.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.6 p -127.6 158.7 38.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.199 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.676 HG13 HG23 ' A' ' 90' ' ' VAL . 10.8 p -120.41 138.55 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -132.5 77.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.78 156.99 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.33 160.73 10.0 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 102' ' ' VAL . 15.6 ttt180 -42.37 135.2 2.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.05 6.47 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 51.86 36.56 18.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.44 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.34 53.24 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.544 1.153 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.584 ' O ' HD13 ' A' ' 24' ' ' LEU . 7.9 pttt -98.16 -33.87 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -43.84 80.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB3' ' HB1' ' A' ' 150' ' ' ALA . 14.5 m -57.46 -61.51 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 2.9 tm? -53.8 -40.54 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -41.91 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 26' ' ' ALA . 2.2 p-10 -49.72 -48.9 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.55 ' HB1' HG21 ' A' ' 156' ' ' VAL . . . -43.29 -49.79 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -89.23 68.54 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.07 -59.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.58 -44.85 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.679 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -45.99 114.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.2 mm-40 -38.39 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -79.46 -78.01 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' HB2' ' HB3' ' A' ' 30' ' ' ARG . . . 73.84 -175.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 tp -140.67 143.58 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.682 ' O ' HG22 ' A' ' 36' ' ' THR . 5.1 p -159.17 164.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.723 HG23 ' N ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 82.95 -168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.723 ' N ' HG23 ' A' ' 36' ' ' THR . 5.9 m-20 60.04 41.63 17.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 mm -124.92 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.15 111.51 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 41' ' ' THR . . . 106.75 6.34 35.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' GLY . 5.6 p 43.09 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.573 HG23 ' H ' ' A' ' 44' ' ' ASP . 4.9 t -113.83 179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.066 . . . . 0.0 110.459 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 42' ' ' THR . 0.0 OUTLIER -92.88 8.74 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.573 ' H ' HG23 ' A' ' 42' ' ' THR . 77.2 m-20 -127.92 5.92 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG13 HG23 ' A' ' 62' ' ' THR . 14.8 p 39.31 32.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 61' ' ' ASP . 4.1 tp -120.36 73.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -113.0 -3.24 14.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.07 29.65 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 t-80 55.96 -155.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.556 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.58 HD13 ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -167.53 108.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.58 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -57.53 141.57 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.684 HG21 ' HA ' ' A' ' 56' ' ' PRO . 2.1 pp -96.57 -42.62 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.583 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER 70.13 -62.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' HD12 ' A' ' 52' ' ' ILE . . . -90.58 -99.68 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.64 128.94 44.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.684 ' HA ' HG21 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.0 62.98 5.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -171.75 88.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.96 137.87 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.41 146.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 9.3 mm -130.14 -70.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.751 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER 65.14 103.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.665 HG23 HG13 ' A' ' 45' ' ' VAL . 2.9 t -86.68 116.05 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.46 -96.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 25.68 56.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tp -162.64 169.73 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -32.94 32.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 1.69 49.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -32.89 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -50.45 71.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -67.97 -24.42 65.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.81 -31.98 31.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.686 HG13 ' HB3' ' A' ' 61' ' ' ASP . 2.2 t -71.23 -31.28 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 81' ' ' TRP . 7.3 pt-20 -95.33 39.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 -46.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.5 tp -57.78 -29.06 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.39 11.24 59.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 9.5 mm 43.59 79.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 0.735 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -147.09 86.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 78' ' ' GLU . 0.6 OUTLIER 43.47 -166.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.09 54.49 1.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.425 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -176.38 69.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.065 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.19 151.5 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.88 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 tp -155.33 39.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 45.08 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.351 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.23 176.39 8.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.32 134.2 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.48 12.6 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER 175.19 135.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.763 HG21 ' OE1' ' A' ' 110' ' ' GLU . 4.0 p -125.9 147.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.74 102.43 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -66.19 -164.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.7 mmm -137.14 -76.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 95' ' ' ASP . 2.0 t 57.51 -175.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.71 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.3 t70 -118.33 -40.36 2.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.67 -54.11 0.77 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 t -127.91 32.32 4.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.566 0.803 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -128.8 142.95 50.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.7 t -134.1 137.78 44.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.86 -168.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.09 -23.38 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -95.52 -8.78 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.512 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.33 -52.13 4.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.1 Cg_endo -75.07 -20.11 17.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.33 2.64 43.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.96 -7.66 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -110.55 -12.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.563 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 4.4 m95 -63.47 -50.59 72.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -74.94 2.09 6.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.763 ' OE1' HG21 ' A' ' 90' ' ' VAL . 1.7 mm-40 -101.93 -51.86 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -37.76 -50.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.0 pt -75.59 83.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.38 161.28 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.44 -10.23 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 153.64 85.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.65 20.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -118.13 159.07 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -136.58 129.02 30.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 92' ' ' PHE . 1.7 mm? -115.08 119.69 38.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.26 37.72 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.47 99.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.5 m -71.86 155.07 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 123' ' ' VAL . 8.5 p -125.37 98.55 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 125' ' ' ARG . 8.8 p -151.46 169.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.478 ' H ' HG22 ' A' ' 124' ' ' VAL . 8.2 mtt85 54.67 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 125' ' ' ARG . 74.8 m-80 -39.37 144.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -76.71 -16.27 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.33 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -41.17 -55.47 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.815 ' CD1' HG21 ' A' ' 134' ' ' THR . 0.0 OUTLIER -84.22 86.27 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.629 HG22 ' N ' ' A' ' 132' ' ' GLY . 0.9 OUTLIER 174.63 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 131' ' ' THR . . . -53.66 -34.31 50.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -51.08 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.815 HG21 ' CD1' ' A' ' 130' ' ' ILE . 25.2 p -45.88 -53.74 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.7 -52.33 21.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.218 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -44.48 -47.98 8.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.2 ttt -58.2 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.67 64.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -70.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 142' ' ' GLY . 8.1 p -97.43 147.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.38 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -67.43 116.26 7.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -46.39 -54.71 8.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -147.08 163.26 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.89 119.27 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.7 pt -141.84 164.91 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -77.34 169.55 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.51 152.49 34.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 0.5 OUTLIER -128.57 -44.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 74.05 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -49.59 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 20.0 m -94.67 -43.52 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.97 -86.06 0.37 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.02 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.8 50.83 0.86 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.55 HG21 ' HB1' ' A' ' 26' ' ' ALA . 7.9 p -88.93 -8.08 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.34 -22.69 12.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.24 -65.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 4.1 pp -56.46 -26.51 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.495 ' HG3' HD12 ' A' ' 27' ' ' LEU . 5.4 ttt180 -68.58 -29.29 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -85.0 0.34 51.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.418 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 30.9 m80 -108.98 14.73 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.539 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -103.61 -43.51 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.375 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -63.07 -30.17 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -72.54 -43.2 63.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.36 79.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 61.3 mtp -40.83 121.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -89.56 146.68 19.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.06 104.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -167.9 147.16 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.647 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -179.73 -58.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.82 129.77 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.015 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 4' ' ' LEU . 3.5 pp -88.92 154.11 20.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' HB2' HD12 ' A' ' 3' ' ' LEU . 6.6 mt 66.18 128.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -142.43 136.96 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -115.39 154.86 28.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.21 162.95 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 0.732 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -127.01 116.82 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 89' ' ' ARG . 51.5 t -100.9 139.83 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.736 HG13 HG22 ' A' ' 90' ' ' VAL . 2.4 p -97.25 123.78 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.593 HD12 ' OE2' ' A' ' 48' ' ' GLU . 79.7 mt -101.99 91.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.44 162.9 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.29 -99.68 0.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.37 156.66 1.21 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 0.717 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.538 1.809 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.79 78.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.28 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.5 53.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HE2' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -105.55 -54.34 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.0 p -76.02 -14.41 60.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -50.67 11.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.6 mt -53.69 -38.22 64.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' ' 48' ' ' GLU . 1.4 mp -39.78 -70.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.47 61.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -165.93 -46.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.66 HD21 ' HB2' ' A' ' 159' ' ' LEU . 2.2 mt -94.82 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.22 -61.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.63 35.57 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' NH1' ' NE2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -83.46 -23.2 32.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.02 -62.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.22 78.78 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.99 -175.91 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 1.051 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -136.65 132.06 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.93 106.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.7 p -86.13 109.91 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.434 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 87.16 4.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 tp -134.32 157.26 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -101.08 -48.64 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.63 93.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' ALA . 3.2 m -45.31 124.37 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -59.62 132.4 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.16 -29.16 60.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.363 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.79 -10.64 58.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 62' ' ' THR . 47.6 t 69.7 -58.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.451 HD11 ' HB ' ' A' ' 50' ' ' ILE . 5.5 tp -37.65 98.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.6 -41.12 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.593 ' OE2' HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -75.08 56.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.438 ' NE2' ' NH1' ' A' ' 30' ' ' ARG . 10.5 t60 41.72 -162.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.451 ' HB ' HD11 ' A' ' 46' ' ' LEU . 2.1 tp -176.19 67.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.06 144.95 52.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.552 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.71 85.95 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 -45.14 -49.62 11.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -37.57 -53.68 1.81 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.54 117.87 0.19 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.62 -48.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -101.1 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -126.17 145.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CG2' ' HD2' ' A' ' 9' ' ' LYS . 6.7 mt -102.55 160.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.593 ' HB3' HG21 ' A' ' 72' ' ' VAL . 29.6 m-20 -111.43 113.69 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.471 HG23 ' HB2' ' A' ' 9' ' ' LYS . 95.8 m -96.53 56.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.05 -168.82 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.69 55.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.31 148.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -47.4 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -58.56 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.32 -56.59 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.592 ' O ' HG12 ' A' ' 72' ' ' VAL . 25.1 t -40.81 -52.42 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.044 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.03 -50.74 53.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -47.42 -47.05 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.213 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 61' ' ' ASP . 9.7 p -72.66 -32.0 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.508 ' HG3' HD11 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -76.48 57.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.5 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.84 -10.32 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.56 24.42 9.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.1 mt 57.35 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.767 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -132.79 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.33 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -50.73 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -175.3 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -146.28 132.62 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -139.14 -69.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' C ' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -175.93 118.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.508 HD11 ' HG3' ' A' ' 73' ' ' GLU . 3.8 mp -136.82 94.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -177.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.03 141.63 45.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.578 ' O ' HD22 ' A' ' 115' ' ' LEU . . . -44.2 135.56 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.03 15.78 21.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.552 ' HB3' HG22 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -158.39 143.14 16.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.736 HG22 HG13 ' A' ' 11' ' ' VAL . 3.8 t -132.02 134.89 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD21 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -118.31 80.49 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.59 171.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.404 ' HA ' ' CG ' ' A' ' 120' ' ' PRO . 10.0 tpt -154.95 131.72 10.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.08 114.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -42.22 135.29 2.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.08 -23.75 2.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.2 p -73.7 -134.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.5 p -86.01 -154.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.6 p -117.54 -120.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.13 -179.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.64 -26.24 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.222 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 t -91.98 1.33 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.499 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -71.51 -52.84 8.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.05 -8.27 19.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.542 1.811 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.87 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.32 19.4 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -105.45 -28.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.479 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -65.78 -55.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 107.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.502 ' HA ' HD11 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.08 63.72 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.17 -61.65 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 140' ' ' VAL . 53.1 p90 -86.78 38.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 109' ' ' PRO . 8.6 pt -129.21 39.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.1 148.69 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -68.51 79.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -174.06 138.48 0.7 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.469 ' CG ' ' NH2' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.06 149.8 36.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -130.05 119.41 23.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.74 ' HB2' ' HB3' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -107.94 143.33 36.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.362 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.42 135.6 27.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.81 ' HB3' HD12 ' A' ' 148' ' ' LEU . 18.3 Cg_endo -74.98 158.07 42.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 122' ' ' THR . 85.6 mt -120.58 166.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.539 HG22 ' H ' ' A' ' 124' ' ' VAL . 98.2 m -69.74 142.11 53.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.435 ' O ' ' HB ' ' A' ' 124' ' ' VAL . 8.9 p -55.22 -16.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.539 ' H ' HG22 ' A' ' 122' ' ' THR . 1.9 t 68.4 134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 166.77 -29.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -132.64 151.92 51.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER 76.39 56.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' LYS . . . 38.4 33.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 127' ' ' LYS . 19.2 m-20 69.5 130.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLY . 2.9 tp -54.21 -18.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.509 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.3 m -35.72 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -67.13 -58.34 8.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -60.34 -62.66 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 135' ' ' LEU . 14.7 t -38.4 -51.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 131' ' ' THR . 9.0 mt -48.79 -49.66 37.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' GLU . . . -83.07 51.41 4.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.2 ttm -157.68 47.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.4 m -103.71 61.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -52.88 5.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.687 HG23 ' HB3' ' A' ' 111' ' ' PHE . 4.4 p -108.92 142.61 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -44.38 100.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -38.01 -57.34 1.68 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 116' ' ' PRO . 6.5 t-80 75.26 -58.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.578 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.74 ' HB3' ' HB2' ' A' ' 118' ' ' LYS . . . -136.14 133.83 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 144' ' ' ALA . 30.7 mt -132.97 90.78 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.38 124.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -54.07 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' A' ' 120' ' ' PRO . 7.5 mt -150.48 163.74 37.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 89.7 p -136.14 -45.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 83.77 -58.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -43.22 -54.72 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 75.6 p -127.62 26.78 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' A' ' 156' ' ' VAL . . . 39.71 85.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' ' 149' ' ' SER . 18.7 tp10 -48.47 -52.7 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 0.735 . . . . 0.0 110.227 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -148.58 47.91 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.581 HG13 ' CA ' ' A' ' 153' ' ' GLY . 34.5 m -54.7 -44.21 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.431 ' OD1' HG23 ' A' ' 158' ' ' VAL . 0.5 OUTLIER -45.82 -55.15 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.431 HG23 ' OD1' ' A' ' 157' ' ' ASP . 53.5 t -41.76 -40.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.66 ' HB2' HD21 ' A' ' 27' ' ' LEU . 46.1 mt -68.31 -50.26 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -51.49 -45.09 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.18 -56.29 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -58.14 -25.47 61.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.577 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.72 43.44 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.47 -48.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -55.03 -46.16 75.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 167' ' ' MET . 89.9 p -59.42 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.401 ' N ' ' OG ' ' A' ' 166' ' ' SER . 10.0 mmt 48.74 -174.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.1 108.03 0.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.09 120.59 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.47 157.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -93.7 -55.28 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.59 -59.91 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 0.0 110.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.58 93.54 4.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -133.88 -75.04 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER 82.0 144.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.33 -174.84 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.61 169.96 12.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.484 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER 179.46 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' N ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER 75.65 106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 163' ' ' LEU . 78.6 t -103.0 144.58 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.78 126.03 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.491 HG22 ' HG ' ' A' ' 91' ' ' LEU . 5.8 pt -99.56 94.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.9 124.65 42.42 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.92 156.29 22.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 154.89 83.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.06 145.83 31.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.3 t30 81.81 29.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 95' ' ' ASP . . . -117.12 -40.92 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.8 -93.78 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.405 1.066 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp 52.13 -94.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.3 m -39.33 -58.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -53.11 -44.02 67.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.561 HD13 ' SD ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -61.68 -65.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.614 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.1 tm? -42.61 -52.1 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -43.22 -49.39 6.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.52 -53.54 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -48.9 -66.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.18 -57.35 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.65 47.22 6.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -92.55 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -40.63 -54.97 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -114.66 -68.71 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 77.7 110.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.2 mt -78.95 147.34 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.61 128.18 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -124.78 136.73 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -128.98 81.46 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' ILE . 3.7 tp -111.47 135.52 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.05 63.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.58 124.77 1.61 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -75.25 -7.45 53.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m 59.96 116.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.81 -41.37 95.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -77.48 -1.93 32.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 46' ' ' LEU . 2.7 t 65.69 -71.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.618 HD23 ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -39.34 118.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -150.93 30.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' H ' HD13 ' A' ' 46' ' ' LEU . 1.3 pm0 -137.64 56.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 54.24 171.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.553 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -120.15 96.8 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -54.14 107.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -159.24 124.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -104.1 -30.79 10.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.41 -69.08 0.7 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.85 164.03 35.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.29 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.07 102.19 11.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.51 92.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.41 146.24 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' ASP . 1.9 pt -134.44 -49.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' CB ' HG13 ' A' ' 72' ' ' VAL . 12.4 m-20 60.77 123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.618 ' H ' HD23 ' A' ' 46' ' ' LEU . 2.7 t -84.02 110.65 18.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.891 ' HB3' ' OE1' ' A' ' 86' ' ' GLN . . . -62.36 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.66 -134.41 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 65' ' ' LEU . 1.1 pt? -64.28 -170.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 0.805 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -41.16 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.66 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.5 tp10 -87.98 175.89 7.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.897 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 81.15 -55.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -54.39 -48.66 71.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -51.01 69.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -59.23 -36.29 75.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 68' ' ' ALA . 40.8 t -56.07 -37.0 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.66 -35.39 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.57 -69.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -44.83 -38.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.44 -172.64 38.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 77' ' ' ILE . 32.0 mt -112.27 50.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.54 141.32 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -43.96 157.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.02 61.64 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 66.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -154.47 138.51 16.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -48.13 174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.666 ' CD1' HG11 ' A' ' 72' ' ' VAL . 5.2 tt -155.16 -49.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 63.24 136.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.891 ' OE1' ' HB3' ' A' ' 63' ' ' ALA . 5.9 pm0 -171.97 -157.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.45 75.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.05 -35.29 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 166' ' ' SER . 1.5 mmp_? -141.64 151.27 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t -140.84 112.55 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.513 HD22 HD21 ' A' ' 163' ' ' LEU . 0.6 OUTLIER -101.85 92.83 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' OE2' ' A' ' 106' ' ' GLU . 6.4 t80 -68.92 133.68 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.561 ' SD ' HD13 ' A' ' 23' ' ' LEU . 86.0 mmm -96.2 93.52 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' ASP . 61.1 t -67.66 -41.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.486 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 1.6 t70 60.97 121.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.25 -162.68 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.426 ' HB ' HG21 ' A' ' 122' ' ' THR . 4.8 t -111.19 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 m -79.67 151.18 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -128.34 143.98 51.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.427 ' O ' ' CD ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -161.1 -172.75 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.99 26.7 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' ' CD ' ' A' ' 106' ' ' GLU . 30.4 m -115.05 -30.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.625 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.39 -45.63 5.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -71.06 64.02 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 7.4 pt-20 166.43 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 104' ' ' PRO . 1.1 tt -77.18 -13.0 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.586 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -67.72 -62.33 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.14 54.39 3.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -132.54 -55.7 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.466 ' HB3' HG11 ' A' ' 140' ' ' VAL . 41.9 p90 -87.2 40.66 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.8 pt -118.37 9.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.15 178.63 6.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.89 61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 116' ' ' PRO . 2.1 pp -142.12 141.79 22.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.625 ' O ' HD12 ' A' ' 115' ' ' LEU . 18.5 Cg_endo -74.99 163.84 34.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.22 138.99 28.43 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.62 137.78 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.551 HD23 ' N ' ' A' ' 119' ' ' LEU . 0.1 OUTLIER -123.34 133.46 24.57 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.42 42.8 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.766 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.3 mt -104.37 142.01 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 130' ' ' ILE . 1.1 m -94.67 110.05 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 123' ' ' VAL . 7.1 p -125.68 67.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.52 118.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 60.28 146.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 63.73 167.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.72 -48.73 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.92 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.28 -51.99 55.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 122' ' ' THR . 41.1 mm -44.1 -79.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.0 p -39.28 -44.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -50.68 -63.33 4.54 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -50.63 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 m -39.18 -64.24 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.3 mt -96.79 27.77 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.35 13.75 11.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -149.63 40.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.6 t -71.29 59.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -90.52 120.5 31.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 111' ' ' PHE . 81.5 t 63.11 122.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -52.84 97.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -73.13 128.95 12.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.16 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.509 ' O ' ' HB2' ' A' ' 144' ' ' ALA . 5.2 t-160 -41.85 -33.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 0.775 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 143' ' ' HIS . . . 175.4 177.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.6 mp -142.78 125.27 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.83 121.7 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 156.36 21.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.509 HD11 HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -169.41 -169.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 153' ' ' GLY . 31.4 t -157.29 99.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.04 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -43.25 -34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -61.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.521 HG23 ' HG2' ' A' ' 154' ' ' GLU . 1.4 t -108.22 15.28 24.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 42.58 55.28 4.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.521 ' HG2' HG23 ' A' ' 152' ' ' THR . 4.9 mm-40 -50.6 -96.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.57 85.82 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 76.2 t -107.38 -56.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.412 0.713 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.5 -50.95 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 37.6 t -49.41 -54.27 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -48.73 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.772 ' HA ' HD12 ' A' ' 163' ' ' LEU . 62.4 ttt180 -48.12 -46.76 34.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -58.29 -40.54 82.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -18.73 65.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 160' ' ' ARG . 11.4 mt -89.98 -36.15 15.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -99.72 45.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -138.87 -48.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.445 ' HB2' ' CG ' ' A' ' 89' ' ' ARG . 41.6 m -87.43 10.68 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -70.73 176.07 4.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -125.69 140.04 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.92 168.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.66 176.5 0.28 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.155 . . . . 0.0 109.576 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.83 -174.43 4.7 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.132 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -99.93 95.96 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.66 77.34 9.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mm? 61.79 163.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.215 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -140.35 179.5 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -150.65 171.61 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA2' ' CG ' ' A' ' 167' ' ' MET . . . 149.44 146.92 4.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.49 -176.68 5.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 0.815 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.692 ' HZ2' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -123.44 121.17 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 163' ' ' LEU . 27.5 m -121.98 127.76 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p -97.99 147.07 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.72 86.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.05 125.21 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.5 93.71 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.18 118.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.95 127.84 11.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.1 t30 81.05 87.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.691 ' HB3' ' CE ' ' A' ' 93' ' ' MET . . . -169.11 31.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.88 31.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.584 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -100.49 -29.64 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.335 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.86 -52.35 30.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.995 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -46.0 -26.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 148' ' ' LEU . 43.7 mt -72.86 -44.17 61.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.0 mp -50.4 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -59.36 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.18 -47.77 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.42 54.55 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . . . -172.19 113.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.4 58.38 2.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -120.14 124.49 45.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -62.39 102.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 61.82 82.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.09 149.75 46.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 pt -85.11 128.9 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.25 141.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -119.26 158.82 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -145.95 86.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 tp -116.99 150.18 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 0.0 109.382 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.9 -42.4 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.94 101.68 0.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.409 1.068 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -39.34 158.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.4 p -100.63 128.04 46.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -59.42 -36.77 76.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' LEU . 2.8 p30 -75.2 -11.58 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 46' ' ' LEU . 65.8 t 69.29 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 60' ' ' ILE . 35.5 tp -34.97 100.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.0 ttm-85 -131.89 11.12 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 1.5 pp20? -131.79 39.49 3.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.661 ' CE1' ' HB2' ' A' ' 28' ' ' ALA . 28.0 p80 40.06 -159.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.1 mm -146.55 147.53 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -107.08 123.63 48.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.8 mt -144.87 122.66 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.173 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.09 -59.55 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.23 147.62 60.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -64.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.33 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -105.59 140.31 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.59 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.492 ' O ' HG22 ' A' ' 59' ' ' ILE . 67.3 mt -146.71 67.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.71 ' O ' HD22 ' A' ' 46' ' ' LEU . 52.8 mt -135.61 139.74 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.492 ' CG ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -138.02 120.51 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 62' ' ' THR . 8.4 t -78.85 84.64 4.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -68.76 -157.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 -61.94 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ALA . 4.1 tp -98.61 149.03 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -40.71 -45.39 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.58 -44.99 89.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . -61.49 -54.63 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.51 -42.71 23.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -64.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -52.71 -44.86 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.809 HG21 ' HB2' ' A' ' 63' ' ' ALA . 2.6 t -46.34 -77.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.616 ' N ' HG12 ' A' ' 72' ' ' VAL . 13.8 pt-20 -50.85 -40.05 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -54.83 29.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 71' ' ' GLU . 2.3 pt -66.72 -20.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -3.71 87.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.6 mt 68.59 70.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 73' ' ' GLU . 2.8 pt-20 -170.07 144.23 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.13 159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.64 -18.61 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -42.01 79.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 107.968 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -45.07 154.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -111.96 169.61 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 73' ' ' GLU . 3.2 mp -132.01 123.39 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.78 161.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.91 151.44 19.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.737 ' O ' HD11 ' A' ' 115' ' ' LEU . . . -41.32 143.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -93.59 -43.29 8.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 89' ' ' ARG . 2.0 ptp180 -168.74 158.34 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.445 HG21 ' OE2' ' A' ' 110' ' ' GLU . 53.9 t -115.99 158.29 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.85 HD13 HD21 ' A' ' 159' ' ' LEU . 0.8 OUTLIER -149.81 52.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.951 ' CE2' HD23 ' A' ' 119' ' ' LEU . 37.9 p90 -61.38 108.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.691 ' CE ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -77.67 166.87 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.2 m -133.37 -176.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.406 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 13.8 t0 -119.93 84.39 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.197 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.601 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 43.46 -150.83 0.51 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.666 ' CG2' HD13 ' A' ' 130' ' ' ILE . 60.5 p -75.05 59.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 110.372 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 96.4 m -111.56 104.43 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.2 t -97.23 141.18 30.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.461 ' HB3' HG22 ' A' ' 102' ' ' VAL . 28.3 m-20 -161.2 172.47 16.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -13.89 56.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 100' ' ' ASP . 16.4 m -92.46 -0.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.5 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -74.6 -52.93 3.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.502 ' HA ' ' CG2' ' A' ' 107' ' ' ILE . 18.4 Cg_endo -75.0 -33.9 4.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . -39.96 -32.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 104' ' ' PRO . 20.3 mm-40 -117.03 53.06 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.502 ' CG2' ' HA ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -152.36 -46.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.466 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -42.86 -56.93 5.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.1 Cg_endo -75.03 57.09 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.445 ' OE2' HG21 ' A' ' 90' ' ' VAL . 5.9 tp10 -160.55 -46.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' C ' ' CD1' ' A' ' 111' ' ' PHE . 1.3 t80 -48.69 -39.07 23.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.676 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -97.09 99.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 163.19 155.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.771 ' C ' HD22 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -85.83 50.77 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 114' ' ' ARG . 3.8 mm? -126.27 118.52 23.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.421 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 114.17 3.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.07 153.17 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -77.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.951 HD23 ' CE2' ' A' ' 92' ' ' PHE . 2.2 tm? 67.11 94.91 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 165.99 30.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 121' ' ' ILE . 2.4 pp -120.96 148.5 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 130' ' ' ILE . 8.7 t -101.63 161.64 13.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.838 ' HA ' HG21 ' A' ' 130' ' ' ILE . 7.7 p -168.62 72.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 125' ' ' ARG . 12.9 p -174.39 166.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 124' ' ' VAL . 1.9 tmt_? 82.48 -51.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.2 OUTLIER -122.0 -47.29 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 126' ' ' ASN . 10.4 mttp 68.06 -67.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -50.73 -58.19 6.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -42.28 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.838 HG21 ' HA ' ' A' ' 123' ' ' VAL . 25.8 mm -45.9 -56.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.8 m -42.05 -47.2 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.04 -58.55 11.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -46.69 86.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -41.47 -60.92 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.6 mt -51.86 120.92 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 52.34 63.04 5.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.1 mmt -40.11 -43.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -175.08 -77.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -163.85 -167.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 70.2 153.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -96.7 81.0 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -51.73 137.97 30.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -58.77 -57.32 13.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 0.73 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -143.46 151.2 40.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.5 mt -110.81 89.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 147' ' ' ARG . 3.3 mm -120.93 163.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 146' ' ' ILE . 5.8 ptt180 -108.88 165.5 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 23' ' ' LEU . 2.0 mt -135.53 172.09 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.95 43.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 62.27 -99.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.681 ' O ' HG23 ' A' ' 152' ' ' THR . 0.1 OUTLIER -114.43 99.15 7.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 151' ' ' ARG . 1.8 p -159.81 -45.45 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 105.23 20.62 9.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.44 -68.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.25 -28.88 8.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 13.0 t -49.9 -25.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 5.4 m -77.96 -39.99 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.85 HD21 HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -42.87 -48.93 5.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.26 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -46.34 -60.96 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -58.31 -48.89 79.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 163' ' ' LEU . 0.7 OUTLIER -46.83 -43.15 18.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 166' ' ' SER . 0.6 OUTLIER -72.79 -47.11 49.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 60.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 167' ' ' MET . 5.2 p -160.17 -41.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 166' ' ' SER . 0.0 OUTLIER -30.78 129.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -91.02 148.59 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 29.5 mm -46.54 150.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 27.3 t60 71.14 163.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -57.19 12.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p 56.31 166.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 77.61 -58.13 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt -69.28 146.36 52.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.11 145.96 46.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.76 168.7 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 107.46 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttp -132.41 146.54 52.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.812 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.644 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -114.53 122.46 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 91' ' ' LEU . 7.7 p -95.33 158.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.7 t -126.88 135.52 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG22 ' HB2' ' A' ' 20' ' ' LYS . 4.7 mp -137.46 97.65 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.21 162.66 31.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.53 99.28 0.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.474 1.108 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 61.49 157.34 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 0.789 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -99.43 104.57 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.09 -46.83 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.2 44.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HB2' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -110.51 -26.3 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.74 -55.48 5.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.113 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.8 m -61.94 -45.98 91.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.937 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 148' ' ' LEU . 0.2 OUTLIER -49.82 -61.28 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.681 HD21 ' C ' ' A' ' 48' ' ' GLU . 17.3 tp -39.4 -43.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ALA . 27.4 m-20 -67.41 -49.7 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.68 ' HB3' HD13 ' A' ' 27' ' ' LEU . . . -39.45 -57.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -99.07 70.24 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.206 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -149.16 135.78 19.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.41 52.3 4.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.34 130.72 41.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.15 -58.8 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.75 99.87 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.58 163.49 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -151.65 144.72 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -108.05 163.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -150.24 146.19 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -76.87 -51.9 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 tp 40.3 81.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.53 -43.09 50.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 95.6 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 m -42.18 122.54 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 0.711 . . . . 0.0 110.421 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.748 HG23 ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -75.32 142.59 43.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -69.26 -43.54 73.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.5 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -69.5 -10.4 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.762 ' O ' HG13 ' A' ' 45' ' ' VAL . 1.6 p 32.99 45.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 46' ' ' LEU . 1.3 tp -124.89 36.92 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.7 37.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.681 ' C ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -118.5 37.74 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.2 m80 47.44 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.631 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.791 HD13 HG21 ' A' ' 60' ' ' ILE . 3.9 tp -167.82 150.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -153.66 151.51 29.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.608 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 58' ' ' HIS . 2.8 tt -157.33 108.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.78 -40.73 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.17 -90.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -115.82 129.46 25.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.909 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.38 4.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.566 1.824 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.95 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.715 ' HB2' HG21 ' A' ' 52' ' ' ILE . 1.5 t60 -118.56 148.21 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 59' ' ' ILE . 2.9 tt -116.89 109.36 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.791 HG21 HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -97.69 169.01 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.86 ' HB2' HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -148.18 95.15 2.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 9' ' ' LYS . 32.3 p -84.06 63.48 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.23 -171.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -171.91 -54.19 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.445 HD23 ' OE1' ' A' ' 67' ' ' GLU . 5.9 tp -99.04 158.66 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.224 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -43.2 -52.66 5.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE1' HD23 ' A' ' 65' ' ' LEU . 10.7 pt-20 -53.03 -52.19 59.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.6 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 t -52.13 -40.04 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.031 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.84 25.38 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -105.84 -54.35 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.86 HG11 ' HB2' ' A' ' 61' ' ' ASP . 4.0 m -56.35 -44.09 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.52 -36.52 23.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -57.53 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.6 mt -49.54 -44.33 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -148.33 0.29 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.617 HD13 ' N ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -136.2 45.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 0.728 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.78 178.44 5.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -82.1 134.99 35.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.34 62.75 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.412 ' CG ' ' N ' ' A' ' 82' ' ' GLN . 2.7 t-105 -114.14 -71.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.985 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 81' ' ' TRP . 0.0 OUTLIER -177.36 127.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.65 65.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.847 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -172.14 126.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.847 ' N ' HD13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -74.26 -96.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -177.34 168.68 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.58 152.8 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.6 -52.87 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 118' ' ' LYS . 2.5 mmm180 -121.78 134.61 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.41 104.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.503 HD12 HG21 ' A' ' 10' ' ' VAL . 4.2 mt -78.85 108.19 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.817 ' HE1' HG22 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -82.15 161.55 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.36 117.37 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -134.39 128.47 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.54 170.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.438 ' HA2' ' CB ' ' A' ' 122' ' ' THR . . . -42.02 -94.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 97' ' ' THR . 15.0 t -121.89 50.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 m -113.07 115.93 29.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -120.23 73.73 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 -171.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.89 179.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' ASP . 14.0 t 71.52 -58.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.5 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -39.14 -52.31 4.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -74.98 -38.65 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 59.57 3.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.9 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.817 HG22 ' HE1' ' A' ' 92' ' ' PHE . 1.1 pt -84.69 -22.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -50.81 -59.76 6.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.06 55.31 3.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.71 -48.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -43.53 -38.88 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.666 ' C ' HD13 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -93.52 90.25 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 115' ' ' LEU . . . -167.33 162.21 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.579 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -107.92 52.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -156.28 147.04 16.26 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.42 ' HB2' ' CG ' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.04 149.06 36.0 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB1' ' CD2' ' A' ' 92' ' ' PHE . . . -130.67 98.37 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -58.15 109.68 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.216 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -94.73 113.28 60.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.406 ' N ' HD13 ' A' ' 119' ' ' LEU . 18.5 Cg_endo -74.96 156.61 43.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.407 HG22 HG21 ' A' ' 134' ' ' THR . 11.6 pt -134.0 173.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.438 ' CB ' ' HA2' ' A' ' 96' ' ' GLY . 96.4 m -139.66 112.38 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 123' ' ' VAL . 7.6 m -106.7 39.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.572 HG22 ' H ' ' A' ' 125' ' ' ARG . 7.1 p -54.02 172.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.572 ' H ' HG22 ' A' ' 124' ' ' VAL . 12.9 ttt180 -71.1 91.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.38 -60.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.452 ' CA ' HG12 ' A' ' 130' ' ' ILE . 2.0 mttm 77.02 -57.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.64 -57.28 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.508 ' CG ' HG21 ' A' ' 97' ' ' THR . 0.4 OUTLIER -49.53 -63.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.452 HG12 ' CA ' ' A' ' 127' ' ' LYS . 29.1 pt -42.39 -30.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 m 46.97 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.435 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 47.14 23.17 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.405 1.066 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.598 ' O ' HG22 ' A' ' 134' ' ' THR . 0.7 OUTLIER 50.4 84.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.427 0.722 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 133' ' ' GLU . 10.2 t 46.9 42.86 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.22 92.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.21 -59.24 9.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.71 89.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -151.52 32.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -63.52 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 142' ' ' GLY . 11.6 p -66.92 139.74 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.597 1.186 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -67.32 73.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -40.81 156.34 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.691 ' O ' ' HB3' ' A' ' 144' ' ' ALA . 8.3 t-80 -93.49 61.6 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 143' ' ' HIS . . . 84.45 166.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.0 mt -134.81 120.54 19.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 159' ' ' LEU . 1.5 pp -131.54 135.52 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.429 ' H ' ' NE ' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -70.51 162.44 28.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.557 ' CD2' HD13 ' A' ' 23' ' ' LEU . 12.9 tp -161.96 155.05 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 87.5 p -152.25 123.26 7.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.929 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -40.32 -66.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -69.03 134.95 50.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.058 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 70.2 p 43.39 61.97 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 156' ' ' VAL . . . -44.54 113.28 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -54.31 12.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -109.29 54.15 0.56 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.432 1.083 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.651 HG21 ' HB1' ' A' ' 26' ' ' ALA . 2.3 t -92.66 -44.76 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -52.45 40.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 81.6 t -48.67 -30.27 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.224 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -69.32 -55.59 10.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 159' ' ' LEU . 0.1 OUTLIER -38.15 -46.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.613 1.196 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -83.39 76.99 9.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.63 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 163' ' ' LEU . 3.7 mm? -76.21 -16.69 59.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -87.51 -55.01 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.0 -39.99 9.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 86.4 p -95.07 59.18 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -114.49 172.22 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -100.16 120.25 6.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.429 1.08 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.74 103.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 178.34 178.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.555 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -60.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 18.7 t0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 4' ' ' LEU . 13.9 m -142.0 -57.27 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.756 . . . . 0.0 110.048 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 69.16 -66.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 2' ' ' SER . 15.2 mt -136.04 125.8 25.59 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 mmt-85 -111.75 -56.23 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 70.94 124.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 87.25 0.14 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -146.94 -173.62 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.598 ' HE3' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -169.06 -169.43 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.685 HG11 HD21 ' A' ' 163' ' ' LEU . 24.4 m -123.76 -166.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.703 HG13 HG22 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -150.4 81.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.92 133.83 28.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.78 138.77 20.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.65 177.75 38.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -37.94 130.05 0.95 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.98 81.73 2.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.0 m-20 160.97 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.38 84.68 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' SER . . . 62.04 -100.37 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.71 -78.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -68.42 -53.63 22.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -53.42 -43.09 67.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.631 ' HA ' ' HB2' ' A' ' 150' ' ' ALA . 5.8 tp -59.16 -67.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD22 ' HA ' ' A' ' 48' ' ' GLU . 2.8 tp -40.85 -55.3 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -40.71 -64.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.13 -55.33 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -69.26 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 -51.86 6.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.28 -115.48 5.23 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 59.46 155.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.03 -55.46 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.59 116.29 21.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.38 139.78 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 tt -124.15 157.76 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.95 139.14 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -132.09 161.94 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' ILE . 5.1 t0 -117.72 -57.3 2.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.673 HD11 ' HG3' ' A' ' 47' ' ' ARG . 5.2 pt 37.55 86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.62 73.77 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.9 25.19 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 41' ' ' THR . 3.3 m 38.55 78.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.62 HG23 ' N ' ' A' ' 45' ' ' VAL . 15.3 t -46.03 125.69 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.465 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -55.59 -42.05 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -66.79 -10.32 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.62 ' N ' HG23 ' A' ' 42' ' ' THR . 8.5 p 43.72 29.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.007 HD22 ' HA ' ' A' ' 61' ' ' ASP . 14.4 tp -110.97 75.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.673 ' HG3' HD11 ' A' ' 38' ' ' ILE . 35.6 ttp85 -105.64 -7.44 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.709 ' HA ' HD22 ' A' ' 24' ' ' LEU . 16.1 mp0 -91.32 25.35 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 47.08 -172.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 tp -166.12 105.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.75 150.68 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.597 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.0 120.41 49.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -85.28 -53.22 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.062 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.13 133.01 24.35 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.501 0.766 . . . . 0.0 111.036 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.2 45.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 162.78 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.52 -89.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.598 HG22 ' HE3' ' A' ' 9' ' ' LYS . 10.2 mt 71.55 124.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 1.007 ' HA ' HD22 ' A' ' 46' ' ' LEU . 10.0 m-20 -122.51 155.91 35.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 17.0 m -65.01 -43.07 93.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.689 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . 68.59 -71.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' THR . . . 72.72 -99.46 0.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 175.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -49.01 12.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 110.339 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.52 -44.74 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.83 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -47.38 -58.95 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.33 -38.54 3.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.01 -41.12 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 63' ' ' ALA . 13.9 t -49.41 -50.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.52 -45.7 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -51.74 -56.11 15.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.6 mt -60.12 -32.85 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.41 -7.78 87.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.2 mt 49.12 74.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.355 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -162.69 167.2 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -41.18 111.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.42 55.87 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.52 -70.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.06 123.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.88 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.2 tp -161.58 135.66 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.29 141.64 49.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -158.27 -173.54 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 65.5 96.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -139.47 -47.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.547 ' NH1' ' CD2' ' A' ' 143' ' ' HIS . 12.3 tpp180 -133.39 104.86 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.703 HG22 HG13 ' A' ' 11' ' ' VAL . 21.3 t -92.44 106.32 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 91' ' ' LEU . 1.4 pp -106.38 107.41 18.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 107' ' ' ILE . 78.9 m-85 -77.77 -172.04 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -150.27 137.11 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.87 108.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.99 109.43 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 52.17 -175.94 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.3 p -71.48 58.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.2 m -92.75 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 t -106.57 130.3 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -151.97 -168.53 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.8 11.81 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.07 -23.07 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.579 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.98 -48.29 2.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.93 -9.13 20.72 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.562 1.822 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.84 53.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -171.95 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.623 HG22 ' CD1' ' A' ' 92' ' ' PHE . 4.9 pt -82.49 -33.87 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.519 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.1 OUTLIER -56.78 -59.38 12.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -74.94 56.78 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.28 -49.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.564 ' CD1' HG21 ' A' ' 140' ' ' VAL . 0.9 OUTLIER -38.29 -38.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 112' ' ' ILE . 6.1 tp -81.33 77.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.58 143.31 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 71.65 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 pp -175.08 137.22 0.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.41 40.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.0 138.73 45.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.756 ' HE2' HD11 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -102.8 159.73 15.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.863 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -130.67 130.43 22.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.863 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.6 Cg_endo -74.92 163.62 35.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.514 HD11 ' CB ' ' A' ' 145' ' ' LEU . 23.6 mt -122.35 159.36 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.402 ' N ' ' CG2' ' A' ' 121' ' ' ILE . 0.7 OUTLIER -123.67 140.37 53.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.7 p -146.53 54.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 124' ' ' VAL . 12.3 m -79.56 85.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER 66.35 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' ARG . 24.9 m-80 -40.05 155.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -133.01 -58.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.43 -25.2 66.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.225 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -67.49 -66.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.898 HD12 ' N ' ' A' ' 131' ' ' THR . 2.5 pp -53.85 -47.84 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.898 ' N ' HD12 ' A' ' 130' ' ' ILE . 1.0 OUTLIER -39.48 -41.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -41.82 -84.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -49.87 75.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.262 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 136' ' ' GLY . 50.3 m -40.48 -31.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -49.34 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' SER . . . 34.52 71.91 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 136' ' ' GLY . 4.1 ttt -31.95 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.413 0.713 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -65.31 116.57 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 140' ' ' VAL . 12.6 tp10 -178.05 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.564 HG21 ' CD1' ' A' ' 111' ' ' PHE . 13.4 p -156.74 148.09 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.09 113.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -92.43 143.68 16.66 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.547 ' CD2' ' NH1' ' A' ' 89' ' ' ARG . 0.9 OUTLIER -61.95 -42.12 98.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.55 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 143' ' ' HIS . . . 175.0 137.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.514 ' CB ' HD11 ' A' ' 121' ' ' ILE . 2.7 mt -91.97 115.58 28.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 4.5 mm -125.79 144.26 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.17 155.65 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.6 pp -175.06 -170.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 151' ' ' ARG . 18.9 p -176.44 88.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 23' ' ' LEU . . . -40.31 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -168.77 -50.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.3 m -167.58 109.55 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 70.54 -104.42 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 60.67 -174.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -77.15 54.67 3.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 50.4 t -99.27 -41.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.224 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.02 -45.77 87.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 80.5 t -58.79 -31.42 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.756 HD11 ' HE2' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -71.04 -46.73 61.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.42 -49.38 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.23 -49.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -61.65 -34.02 74.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.685 HD21 HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -66.17 -28.39 68.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -71.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -37.84 -36.79 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.0 t -68.1 -57.76 5.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.03 110.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -90.75 146.04 18.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.3 pt -54.51 136.71 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 0.805 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 174.96 143.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 109.586 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -121.71 121.7 37.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 p -131.4 114.25 14.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 pp -125.76 24.82 7.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt -119.01 161.55 20.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -128.09 153.09 47.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.54 154.94 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.74 95.34 0.1 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -179.66 131.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' CG ' HG12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -87.26 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.381 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.703 HG11 HD21 ' A' ' 163' ' ' LEU . 2.4 p -170.43 104.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' C ' HG23 ' A' ' 12' ' ' ILE . 11.6 p -59.9 145.77 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.419 HG23 ' C ' ' A' ' 11' ' ' VAL . 1.3 pp -152.68 90.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.79 169.31 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.84 175.48 23.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -42.57 118.92 2.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 62.7 5.97 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -177.61 57.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.31 35.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.56 33.54 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -54.17 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.75 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -77.86 -38.21 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.99 -48.38 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.9 tp -60.9 -53.82 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -50.7 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -51.09 -48.91 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -84.97 59.74 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.585 HD11 HD12 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -174.58 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.8 -69.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.4 -56.89 0.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -40.74 105.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 0.743 . . . . 0.0 110.188 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -58.94 140.7 55.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.07 59.53 2.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.39 -178.25 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tt -123.86 128.86 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.9 m -90.84 114.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -88.05 145.43 25.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 110.425 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -145.66 84.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pt -125.45 175.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -110.83 -55.78 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.76 95.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' ALA . 16.0 p -49.34 157.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 0.719 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.3 p -106.03 130.68 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.409 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -58.24 -33.67 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -80.16 -15.4 57.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.578 HG13 HG23 ' A' ' 62' ' ' THR . 8.5 p 43.92 29.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD13 ' H ' ' A' ' 62' ' ' THR . 5.9 tp -107.52 57.19 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -96.64 24.76 5.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.08 12.45 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 57.34 -178.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 58' ' ' HIS . 3.8 tt -120.01 146.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 3.3 p-80 -118.16 96.85 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -122.7 118.03 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.07 -41.91 12.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 55' ' ' MET . 2.3 mpt? -127.5 145.12 53.39 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 0.74 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.54 91.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.416 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -170.96 126.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.98 108.83 22.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.483 ' O ' HD22 ' A' ' 46' ' ' LEU . 1.1 tt -101.6 -178.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.522 ' HB2' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -160.15 109.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 62' ' ' THR . 12.0 t -83.04 72.54 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.897 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -52.63 -87.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.3 -48.87 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.7 140.29 38.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -41.01 -57.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.43 1.081 . . . . 0.0 110.367 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.66 -49.86 56.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.98 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -44.83 -41.22 6.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -72.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.34 -30.32 3.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.897 HG21 ' HB2' ' A' ' 63' ' ' ALA . 0.9 OUTLIER -57.81 -50.86 76.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -69.36 -18.22 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 pt -75.65 -14.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -105.97 14.47 44.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.687 ' O ' HG22 ' A' ' 77' ' ' ILE . 14.9 mt 44.68 48.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.76 177.81 5.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 79' ' ' ARG . 21.1 mtm105 -98.71 152.22 19.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -72.67 102.5 3.33 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -149.16 -45.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER 81.16 94.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 85' ' ' GLU . 2.5 tp -87.71 -39.59 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 9.1 tt0 84.93 149.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 178.31 7.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.92 176.16 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -151.25 32.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.02 143.56 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.42 HG23 ' HG ' ' A' ' 115' ' ' LEU . 31.1 t -135.41 127.38 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 159' ' ' LEU . 1.1 tm? -114.22 87.49 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CZ ' ' HG2' ' A' ' 110' ' ' GLU . 1.0 OUTLIER -73.56 147.85 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.4 tpt -125.41 132.01 52.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.7 t -148.32 131.74 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -48.59 -52.65 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.394 1.059 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.59 -82.87 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -94.63 32.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.455 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -115.67 91.57 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.3 p -101.36 79.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.31 174.34 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.11 -0.12 56.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.395 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.7 t -103.98 -17.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.56 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -62.86 -48.89 84.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.97 -19.25 18.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.55 -17.08 63.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.8 35.02 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -120.74 -41.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.587 ' C ' ' CD1' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -50.54 -55.97 22.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.01 56.3 4.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.401 1.737 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.544 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 tp10 -149.56 -62.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.66 -19.65 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.704 ' O ' HG22 ' A' ' 112' ' ' ILE . 3.7 mt -87.66 74.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.436 ' HB1' ' CD2' ' A' ' 115' ' ' LEU . . . -176.43 -179.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -99.06 -37.32 9.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' ' HB1' ' A' ' 113' ' ' ALA . 1.7 pt? -58.41 144.65 77.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -74.93 177.72 8.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -143.35 133.3 24.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -100.54 -176.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.75 137.03 1.17 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.3 Cg_endo -74.99 -176.69 3.01 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.554 HD11 ' O ' ' A' ' 145' ' ' LEU . 75.2 mt -119.61 163.85 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 122' ' ' THR . 13.2 t -116.7 59.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.4 p -69.5 65.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.688 HG22 ' H ' ' A' ' 125' ' ' ARG . 3.9 p -107.18 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.688 ' H ' HG22 ' A' ' 124' ' ' VAL . 7.8 mtt180 -48.93 156.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.7 114.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -14.43 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.59 -47.1 82.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.01 79.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -40.38 -83.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.0 t -43.74 -46.72 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.51 58.64 2.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.4 -52.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 110.226 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.1 m -59.4 -33.19 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.08 -36.57 13.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.28 -71.44 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.83 91.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.5 p -132.44 41.44 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.25 -65.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.9 p -80.71 138.21 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.37 94.43 0.4 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -43.63 -34.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.626 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -167.59 -172.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.554 ' O ' HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -161.8 96.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 2.0 pt -108.52 151.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -101.13 140.34 35.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 148' ' ' LEU . 0.0 OUTLIER -158.36 -178.5 7.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.2 t -152.32 30.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 152' ' ' THR . . . 43.74 -147.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 66.55 -70.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 150' ' ' ALA . 9.5 t -175.12 138.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 61.49 -145.6 48.69 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 75.28 -69.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 0.795 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -157.8 45.69 0.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 17.1 m -106.84 9.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -107.34 -62.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.76 -38.23 43.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 91' ' ' LEU . 6.0 tt -59.07 -47.33 85.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -65.18 -27.78 68.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -71.9 -13.74 61.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -115.06 12.4 16.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.703 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -100.13 -46.22 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -56.36 8.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -40.97 -33.17 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 50.9 m -42.07 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.413 ' CB ' ' HG3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -144.03 160.99 39.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 169' ' ' ILE . . . -143.88 -84.74 0.07 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 12.0 pt -37.31 151.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER 85.83 137.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -39.99 59.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.7 -57.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.987 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.519 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.8 mm? 57.6 91.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.43 161.36 40.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 145.43 41.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -150.29 174.62 12.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.61 -177.99 29.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.527 ' HB3' ' CB ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -152.76 -166.47 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.073 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' CE ' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -141.71 87.97 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.81 HG21 HD21 ' A' ' 163' ' ' LEU . 10.0 p -88.9 156.54 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.653 ' CG1' HG22 ' A' ' 90' ' ' VAL . 9.3 p -155.67 130.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 mt -91.07 129.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.58 172.14 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 109.373 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.78 171.25 14.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -70.99 150.27 94.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 110.267 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 72.74 4.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 18' ' ' ALA . 12.9 t-20 173.5 -34.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . -38.71 -66.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.359 1.037 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.84 41.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -85.6 159.75 19.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.24 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t 79.16 -55.3 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -16.33 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.1 tt -77.42 -56.86 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.71 -27.44 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.94 -49.82 65.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.08 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -76.1 65.23 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.46 160.48 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.43 -48.62 6.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -43.32 122.5 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.794 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.22 -56.6 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -58.18 -73.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 69.7 148.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.38 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -118.47 145.53 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.511 ' N ' HD13 ' A' ' 34' ' ' ILE . 7.7 p -106.44 120.18 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.15 93.81 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.44 94.63 9.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.79 130.04 69.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.72 -28.05 40.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.44 91.98 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -38.83 133.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 45' ' ' VAL . 7.4 t -89.11 149.23 23.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -41.36 19.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.676 ' HA ' HG12 ' A' ' 72' ' ' VAL . 3.7 p30 -65.71 -11.98 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.74 HG11 ' O ' ' A' ' 63' ' ' ALA . 95.3 t 67.68 -63.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -38.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.6 ptt85 -129.24 7.04 5.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.09 35.47 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' O ' ' CG1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER 40.74 -159.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 49' ' ' HIS . 12.4 mt -156.7 126.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 3.8 p80 -83.24 101.26 11.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 0.0 109.594 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 tp -91.3 107.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.65 114.93 29.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 -44.05 1.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.6 ttt -154.43 112.96 2.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.69 4.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.12 55.64 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.506 ' CD2' HG13 ' A' ' 60' ' ' ILE . 59.3 t60 -143.96 151.01 39.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.3 130.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.506 HG13 ' CD2' ' A' ' 58' ' ' HIS . 7.2 mt -129.07 145.74 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.78 151.2 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.402 ' HB ' ' N ' ' A' ' 46' ' ' LEU . 44.5 m -102.85 -50.98 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.74 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 45.63 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.7 -41.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.7 -176.69 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -56.07 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.03 -56.86 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.55 -53.72 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.09 -39.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.87 -45.54 20.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -55.31 -52.08 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 44' ' ' ASP . 25.7 m -59.5 -33.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -12.15 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.18 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -49.19 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 pp -59.03 -33.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.22 106.02 3.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.155 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mm -44.63 99.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -170.19 -179.75 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.42 154.31 38.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.15 -66.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -75.28 68.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -112.32 158.79 19.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.4 142.95 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 84' ' ' ILE . 2.9 tp -149.54 116.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.443 ' HB2' ' CE ' ' A' ' 9' ' ' LYS . 8.9 mm-40 -55.6 179.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.9 -179.72 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.56 136.28 38.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 166' ' ' SER . 64.9 t0 -117.43 -64.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -105.64 103.91 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.653 HG22 ' CG1' ' A' ' 11' ' ' VAL . 3.5 t -95.82 100.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.45 HD23 ' CG ' ' A' ' 118' ' ' LYS . 1.9 mt -83.74 134.82 34.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.737 ' CZ ' HD13 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -106.43 159.02 16.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 tpt -137.81 133.91 34.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.9 t -137.98 127.13 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.4 t70 -70.78 116.65 11.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.757 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 37.62 -156.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.704 ' O ' HG22 ' A' ' 97' ' ' THR . 1.3 m -97.63 64.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.622 0.837 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.3 m -132.76 123.11 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 t -104.3 141.5 36.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -168.33 171.66 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.728 ' C ' HG23 ' A' ' 102' ' ' VAL . . . -48.78 166.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.728 HG23 ' C ' ' A' ' 101' ' ' ALA . 2.4 t 82.03 -54.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -46.66 -50.32 42.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.0 -31.77 5.93 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.388 1.731 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 102' ' ' VAL . . . -56.66 -27.67 59.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.387 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -114.6 59.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.737 HD13 ' CZ ' ' A' ' 92' ' ' PHE . 8.5 mm -143.24 -49.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.463 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.45 -56.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 108.064 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -75.03 55.02 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.485 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -159.67 -58.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -40.94 -49.56 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 30.6 pt -60.81 -178.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 112' ' ' ILE . . . 70.67 163.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -91.05 3.21 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.61 126.82 79.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 165.81 30.4 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.8 104.26 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.476 ' HE3' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -68.87 167.24 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -138.46 117.34 9.5 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.1 Cg_endo -75.06 143.05 28.39 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.496 HD11 HD22 ' A' ' 145' ' ' LEU . 45.9 mt -114.31 147.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.757 HG21 ' HA2' ' A' ' 96' ' ' GLY . 0.5 OUTLIER -107.02 134.8 49.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 123' ' ' VAL . 13.5 m -127.66 72.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.2 133.53 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.2 115.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.65 141.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -116.32 -5.7 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' THR . . . -90.56 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -43.78 -30.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 122' ' ' THR . 0.4 OUTLIER -78.93 -46.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 130' ' ' ILE . 2.8 m -55.94 -58.79 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.26 58.81 1.12 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 179.59 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 135' ' ' LEU . 9.5 t -66.69 -50.97 61.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.464 ' N ' HG23 ' A' ' 134' ' ' THR . 15.7 mt -47.27 -56.52 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -94.65 50.02 2.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.781 ' SD ' HD21 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -39.06 -52.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 111.017 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.16 -68.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -179.21 -61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.45 123.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.99 65.95 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -37.74 141.02 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -42.01 -58.45 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -142.82 -179.8 6.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.781 HD21 ' SD ' ' A' ' 137' ' ' MET . 3.5 mp -146.02 100.57 3.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 20.7 mm -109.05 134.92 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -80.89 133.82 35.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.1 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.9 t -158.01 32.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 151' ' ' ARG . . . 59.54 -141.66 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 150' ' ' ALA . 7.9 mtt180 -38.0 -60.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 18.8 m -72.67 57.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.49 111.89 1.03 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.79 25.02 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 169.76 48.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.83 -30.84 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.14 -50.6 46.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.23 -29.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.476 HD12 ' HE3' ' A' ' 118' ' ' LYS . 4.4 tt -77.25 -45.31 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.32 -18.05 65.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.93 -17.69 59.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -105.2 14.77 28.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.81 HD21 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -111.79 -36.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.36 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.78 39.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -62.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.495 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 2.0 m -56.68 -19.94 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.042 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.527 ' CB ' ' HB3' ' A' ' 8' ' ' MET . 15.5 ptt? -48.99 138.04 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 152.15 50.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mt -92.65 97.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -175.75 162.31 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.624 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -102.27 138.35 39.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.362 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -56.31 109.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.048 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.31 -56.74 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.95 162.18 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -153.26 169.98 21.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -176.81 133.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.65 178.96 16.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -169.49 162.6 10.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 137.6 50.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.578 HG21 HD21 ' A' ' 163' ' ' LEU . 11.1 p -121.11 148.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.646 HG13 HG23 ' A' ' 90' ' ' VAL . 13.9 p -129.4 130.21 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -115.67 106.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.23 -172.99 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.08 148.8 8.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.41 150.8 2.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.14 5.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 4.3 t-20 176.25 100.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 175.2 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.39 42.71 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -29.12 62.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.808 ' HB2' HG21 ' A' ' 35' ' ' VAL . 2.1 p -82.38 -43.23 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -61.57 -31.46 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' LEU . 6.4 tt -67.51 -63.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.0 tm? -40.24 -65.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.181 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 79.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -177.96 -51.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.16 -59.82 4.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 -52.04 14.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 38.16 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -90.56 50.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.383 0.696 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 39.75 41.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.69 -56.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.85 131.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -157.6 119.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.808 HG21 ' HB2' ' A' ' 21' ' ' SER . 8.1 p -110.18 135.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -99.37 148.87 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.74 78.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.92 136.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -84.2 -44.95 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.585 1.178 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.25 96.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 41' ' ' THR . 2.9 t -57.81 116.08 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.458 HG23 ' HA ' ' A' ' 45' ' ' VAL . 6.0 t -68.06 132.8 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -37.93 89.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -70.74 -8.23 50.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.458 ' HA ' HG23 ' A' ' 42' ' ' THR . 7.1 p 40.29 36.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.897 HD22 ' HA ' ' A' ' 61' ' ' ASP . 11.7 tp -126.81 79.48 1.87 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.34 9.92 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.23 44.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 47.2 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.545 HD11 HD21 ' A' ' 46' ' ' LEU . 2.8 mp -143.5 97.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -47.0 147.47 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.9 pp -140.21 64.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.0 62.22 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.372 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.72 -69.34 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.5 ttt -130.31 121.19 19.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' HD13 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.94 -175.59 2.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp 51.15 55.55 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -144.35 147.3 33.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.75 154.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -112.94 -49.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.897 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.8 m-20 62.48 103.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.29 161.13 27.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -151.36 22.96 0.96 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 tp -170.41 156.12 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 0.782 . . . . 0.0 109.345 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -42.4 55.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -50.69 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.51 -61.05 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -51.19 -39.01 55.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.03 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.6 -37.37 87.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.542 HG13 ' HB3' ' A' ' 61' ' ' ASP . 2.9 t -56.75 -51.02 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.215 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -38.23 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -64.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -52.65 97.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.05 -143.71 14.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.93 -22.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.98 164.14 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -108.51 -69.6 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 79' ' ' ARG . . . 178.52 161.95 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 49.17 77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -178.34 140.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.485 ' HG3' HD12 ' A' ' 84' ' ' ILE . 8.5 pt-20 41.18 -157.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 83' ' ' GLU . 3.2 mt 65.74 124.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -123.45 -174.39 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -84.0 156.41 22.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.15 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -150.73 -48.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.515 ' HB3' HG23 ' A' ' 10' ' ' VAL . 1.2 tpt180 -107.64 153.08 23.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.646 HG23 HG13 ' A' ' 11' ' ' VAL . 9.9 p -158.7 123.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.726 ' HB2' ' HZ2' ' A' ' 118' ' ' LYS . 10.2 tt -132.13 110.56 10.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.808 ' CE2' HD13 ' A' ' 119' ' ' LEU . 7.6 p90 -110.21 77.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.37 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.407 HG11 HD11 ' A' ' 119' ' ' LEU . 35.1 m -129.51 -168.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 -171.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.58 -74.37 0.51 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.576 HG21 ' HD2' ' A' ' 127' ' ' LYS . 29.4 p -118.13 -41.0 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -38.8 132.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 m -156.46 82.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.19 -174.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.25 0.04 53.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.83 -10.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -71.97 -49.86 9.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.55 ' HA ' ' CG1' ' A' ' 107' ' ' ILE . 18.5 Cg_endo -74.93 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.7 0.09 57.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -115.39 -1.93 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.701 HG22 ' CE2' ' A' ' 92' ' ' PHE . 3.6 pt -117.08 -39.37 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.217 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.465 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -40.56 -55.95 4.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 53.31 3.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.39 1.732 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.571 ' OE2' HG11 ' A' ' 90' ' ' VAL . 7.0 tp10 -134.22 -45.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.39 41.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.5 mt -119.55 -46.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.714 ' HB3' HD11 ' A' ' 115' ' ' LEU . . . -76.84 -168.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.489 ' C ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -119.65 81.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -167.7 157.3 9.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.497 ' HB3' ' CD2' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.0 148.5 35.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.626 ' HB1' ' HE1' ' A' ' 92' ' ' PHE . . . -125.52 132.25 52.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.726 ' HZ2' ' HB2' ' A' ' 91' ' ' LEU . 4.2 mtmp? -97.36 135.97 38.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.808 HD13 ' CE2' ' A' ' 92' ' ' PHE . 20.2 tp -144.2 102.59 4.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.435 HG21 HG23 ' A' ' 134' ' ' THR . 1.4 pt -130.73 -173.26 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.78 HG21 HG13 ' A' ' 130' ' ' ILE . 10.2 t -99.05 144.22 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.541 ' O ' ' C ' ' A' ' 124' ' ' VAL . 8.3 p -76.51 66.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.774 HG22 ' N ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER 29.1 -97.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.774 ' N ' HG22 ' A' ' 124' ' ' VAL . 20.6 ttt180 74.62 -61.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -152.62 -165.98 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.576 ' HD2' HG21 ' A' ' 97' ' ' THR . 2.0 mmtt 68.7 49.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 42.95 31.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.589 ' HA ' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER 63.81 116.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.78 HG13 HG21 ' A' ' 122' ' ' THR . 21.2 mm -64.81 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 130' ' ' ILE . 6.3 t -37.65 -38.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.421 1.075 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.28 -45.99 85.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.435 HG23 HG21 ' A' ' 121' ' ' ILE . 0.8 OUTLIER -49.32 -45.09 44.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.44 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.56 -41.07 96.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.7 -46.39 89.98 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.4 ttp -69.15 73.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.1 t -130.65 62.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -40.77 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.03 137.88 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -49.83 101.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -48.57 142.69 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.497 ' CD2' ' HB3' ' A' ' 116' ' ' PRO . 52.5 t-80 -112.63 -15.55 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.617 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.21 -73.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 119' ' ' LEU . 61.4 mt 62.88 72.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.71 127.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 121' ' ' ILE . 0.8 OUTLIER -71.87 147.02 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.626 HD21 HD11 ' A' ' 159' ' ' LEU . 1.9 pp -176.18 163.27 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 150' ' ' ALA . 52.4 p -141.64 130.24 22.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 152' ' ' THR . . . -45.41 -94.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.4 -89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 152' ' ' THR . 1.0 OUTLIER -175.33 71.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 156' ' ' VAL . . . 147.99 -156.18 26.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 69.46 -149.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.571 0.807 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.603 ' HA3' HD22 ' A' ' 148' ' ' LEU . . . -41.78 -84.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 153' ' ' GLY . 0.0 OUTLIER 40.02 -97.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 155' ' ' GLY . 32.4 t70 -45.45 -50.53 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 36.6 t -41.78 -47.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.626 HD11 HD21 ' A' ' 148' ' ' LEU . 28.3 mt -73.11 -44.41 60.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -34.93 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.1 -50.56 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -52.72 -31.89 40.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.641 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.578 HD21 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -73.2 -49.99 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -54.88 -60.01 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -43.0 -37.29 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 54.3 p -99.87 75.14 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.33 -67.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.084 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 89.26 137.71 6.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.5 mt -65.02 113.03 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.485 ' CG ' ' N ' ' A' ' 171' ' ' ARG . 75.1 t60 -178.1 167.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER 64.17 127.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.65 113.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.968 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.91 149.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.365 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 mt 65.13 95.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -104.69 139.93 38.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.64 166.94 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.59 107.94 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.462 ' HG2' ' CB ' ' A' ' 167' ' ' MET . 0.0 OUTLIER -159.32 170.75 21.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.428 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -131.89 165.19 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -144.37 157.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 11' ' ' VAL . 7.2 p -136.22 100.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 91' ' ' LEU . 59.0 mt -92.74 84.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.3 167.66 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.57 129.82 2.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.22 156.21 0.49 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.67 19.91 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 68.09 50.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.83 27.86 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.53 72.69 0.49 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -107.76 -58.02 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -54.33 -49.1 70.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.6 m -47.85 -39.22 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -57.77 -58.9 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.555 HD22 ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -52.05 -39.34 59.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -63.05 -46.74 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -46.0 -57.56 4.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.083 . . . . 0.0 109.383 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 55.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -101.37 -52.78 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.15 -63.35 0.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 9.4 ptp180 -65.96 147.5 53.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.85 -62.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.32 129.57 40.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mm -103.07 118.39 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.606 1.192 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.07 140.35 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.9 p -125.57 140.35 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.54 88.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 tp -140.71 149.48 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.16 -54.96 3.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.64 101.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.2 p -54.67 142.65 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.6 p -63.88 156.67 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -81.69 -19.94 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.615 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -108.18 3.06 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.9 p 46.88 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 61' ' ' ASP . 2.5 tp -119.34 96.55 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 9.08 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HA ' HD22 ' A' ' 24' ' ' LEU . 4.1 mp0 -103.27 37.93 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER 40.45 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.557 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.4 mm -149.94 113.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.609 ' CE1' ' NH2' ' A' ' 160' ' ' ARG . 3.6 t-160 -95.5 116.48 28.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mm -130.63 126.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -86.6 -41.28 14.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.375 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.0 -74.03 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.26 170.66 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 0.796 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.781 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.19 143.26 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -164.29 -56.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp 64.22 116.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.505 ' HA ' HD13 ' A' ' 60' ' ' ILE . 6.8 mm -138.25 157.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.483 ' HA ' HD13 ' A' ' 46' ' ' LEU . 3.1 m-20 -134.68 131.78 38.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 62' ' ' THR . 4.7 t -96.57 73.46 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -62.74 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.02 -64.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.89 166.1 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -44.51 -47.86 10.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.15 -65.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.0 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -39.91 -38.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.942 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -76.79 -70.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -40.15 -47.34 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 44' ' ' ASP . 11.2 t -44.61 -60.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.392 1.057 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -49.8 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -56.46 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 mm -45.35 -48.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.19 42.22 2.01 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.549 1.156 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.608 HG22 ' N ' ' A' ' 78' ' ' GLU . 2.7 mp 59.92 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.608 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER 60.64 160.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.26 -82.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.65 -49.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -108.3 85.2 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.63 126.41 51.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -48.48 139.25 9.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 84' ' ' ILE . 7.5 tp -148.77 111.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 3.3 mm-40 -48.98 174.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -123.01 136.66 54.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' O ' HD23 ' A' ' 115' ' ' LEU . . . -45.69 105.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 3.0 m-20 -108.02 63.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER 162.91 130.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.9 t -124.79 118.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -131.1 98.49 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -115.17 142.18 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.78 137.99 31.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' GLY . 32.0 m -119.73 6.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 60.72 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -171.8 -132.68 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.1 t -46.63 -30.94 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.0 p -39.76 125.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -133.03 164.75 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -174.85 174.04 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.6 -1.47 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.38 -15.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -61.89 -49.76 84.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -74.95 -43.71 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.56 65.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 174.42 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.4 pt -92.13 -29.76 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.457 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -56.83 -56.09 36.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.95 56.32 4.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.73 -46.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -40.93 -33.43 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 112' ' ' ILE . 3.7 mp -82.17 79.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -177.27 128.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 56.98 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 115' ' ' LEU . 1.1 pp -145.74 154.75 52.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 151.86 39.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -133.23 86.61 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -63.99 126.8 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.725 HD23 ' HD2' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -107.41 120.6 47.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.725 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.08 154.55 42.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 122' ' ' THR . 3.7 mm -118.97 163.89 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.643 ' HB ' HG21 ' A' ' 130' ' ' ILE . 0.9 OUTLIER -94.57 147.54 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' VAL . 3.5 t -79.95 54.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.835 HG13 ' HA ' ' A' ' 129' ' ' ASP . 76.4 t 37.41 -100.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.599 ' N ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 76.67 -67.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.083 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.99 -171.16 3.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.92 46.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 41.02 44.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.835 ' HA ' HG13 ' A' ' 124' ' ' VAL . 1.7 m-20 63.84 104.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.643 HG21 ' HB ' ' A' ' 122' ' ' THR . 4.2 tp -46.25 -23.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.549 ' C ' ' O ' ' A' ' 130' ' ' ILE . 4.4 m -25.77 -67.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.467 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -39.7 -83.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.34 -49.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -47.28 -59.03 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 134' ' ' THR . 0.1 OUTLIER -47.85 -57.78 5.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -41.2 -53.93 3.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.73 99.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.715 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.83 51.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.065 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.6 7.47 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.5 p -154.76 147.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.14 89.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.18 134.29 33.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -67.16 -44.65 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -161.78 150.97 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.0 mt -114.57 120.72 41.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.737 HD12 HD23 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -144.84 139.53 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -105.04 134.52 48.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.737 HD23 HD12 ' A' ' 146' ' ' ILE . 2.3 pp -152.44 176.22 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.5 t -125.0 -178.18 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -89.93 -61.94 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 151' ' ' ARG . 1.3 ttp-105 -63.21 -69.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 154' ' ' GLU . 76.7 p -92.22 78.18 5.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -53.61 88.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' THR . 7.4 mt-10 -54.91 -45.04 74.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 0.75 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -132.98 60.24 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.54 -2.6 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 0.793 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.88 -48.3 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.86 -19.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 91' ' ' LEU . 5.1 tp -82.43 -44.05 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.609 ' NH2' ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -60.17 -51.99 67.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.238 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 164' ' ' LYS . 6.1 m-80 -46.09 -65.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.44 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 32.6 m170 -40.22 -43.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.605 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 163' ' ' LEU . 0.2 OUTLIER -48.99 -49.84 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 161' ' ' ASN . 23.9 pttt -87.94 55.34 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -149.74 -54.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 44.7 t -92.04 20.92 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.462 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 63.86 134.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.5 pt -65.9 123.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 171' ' ' ARG . 0.7 OUTLIER -175.41 169.89 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.62 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER 83.55 -58.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.71 112.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 0.806 . . . . 0.0 109.975 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.88 -64.23 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.913 HD21 HG22 ' A' ' 169' ' ' ILE . 5.0 tp -177.13 134.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -106.61 -45.88 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 66.17 113.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.62 160.18 26.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -175.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.878 ' HB3' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -118.97 -179.54 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 163' ' ' LEU . 5.3 p -155.51 152.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.74 129.61 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 12' ' ' ILE . 2.7 mt -129.88 83.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.65 159.0 20.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.7 -154.54 25.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.414 1.071 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.08 125.37 89.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 86.23 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.445 1.761 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 162.5 -37.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.84 61.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 36.84 84.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 -31.93 11.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.65 -41.74 10.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -50.33 -28.22 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.88 -40.34 47.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.758 HD11 ' NE2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -64.58 -42.71 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.66 -43.63 89.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.1 91.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -51.82 -67.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.603 ' HB2' ' HE1' ' A' ' 49' ' ' HIS . . . -47.71 -66.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.27 28.78 35.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -78.44 148.81 33.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 0.753 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.7 mp0 -78.82 63.16 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 31' ' ' GLU . . . 169.34 65.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 124.33 19.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tp -123.92 140.09 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.67 112.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 t -88.97 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.36 88.25 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 tt -135.63 160.84 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.96 -39.46 6.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.77 109.85 0.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -73.41 102.16 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 45' ' ' VAL . 9.8 t -47.24 120.67 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -35.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.1 p30 -70.04 -8.74 51.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.614 HG21 ' O ' ' A' ' 63' ' ' ALA . 46.1 t 69.79 -59.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.828 HD13 ' HA ' ' A' ' 61' ' ' ASP . 5.2 tp -37.84 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' VAL . 18.1 tpt180 -124.93 8.79 8.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HB3' HD13 ' A' ' 24' ' ' LEU . 67.8 mt-10 -130.65 31.75 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.758 ' NE2' HD11 ' A' ' 24' ' ' LEU . 24.4 p80 37.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.612 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.833 HG21 ' H ' ' A' ' 60' ' ' ILE . 6.6 tp -160.27 110.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -76.85 127.28 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.1 mm -115.82 83.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -41.47 -41.44 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.16 -92.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttt -121.24 141.32 32.84 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.77 4.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.33 146.19 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 69.19 139.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 50' ' ' ILE . 10.6 pt -148.83 155.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.833 ' H ' HG21 ' A' ' 50' ' ' ILE . 1.8 pp -112.21 -171.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.828 ' HA ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -156.26 143.51 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.878 HG22 ' HB3' ' A' ' 9' ' ' LYS . 8.2 p -83.67 124.7 31.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.773 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . . . -70.5 -81.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.419 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 99.77 -69.58 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 64' ' ' GLY . 0.6 OUTLIER -109.59 140.75 43.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -42.39 -51.21 4.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.03 -46.47 75.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -52.03 -47.56 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.494 ' OG ' HG21 ' A' ' 84' ' ' ILE . 8.2 t -38.04 -49.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -72.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -40.89 -33.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' ILE . 73.4 t -71.25 -55.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.67 81.84 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.2 -31.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 72' ' ' VAL . 1.2 tt -76.0 -17.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.395 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.75 3.63 34.18 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.9 mt 58.17 86.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -170.0 175.1 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' GLU . 1.1 mtm180 -38.84 124.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 81' ' ' TRP . . . -88.29 46.11 1.35 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CG ' ' O ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER 161.18 70.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' TRP . 2.0 mt-30 166.53 136.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 69.27 103.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.773 ' CG1' ' HB2' ' A' ' 63' ' ' ALA . 3.3 tp -175.33 56.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.35 106.3 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.68 ' NE2' ' HB2' ' A' ' 87' ' ' ALA . 2.1 pp0? -130.34 -165.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.68 ' HB2' ' NE2' ' A' ' 86' ' ' GLN . . . 56.36 101.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.88 -51.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.48 ' NH1' ' ND1' ' A' ' 143' ' ' HIS . 0.6 OUTLIER -130.6 116.71 18.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.515 HG21 ' OE1' ' A' ' 110' ' ' GLU . 54.8 t -93.24 133.4 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.412 1.07 . . . . 0.0 109.237 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.94 85.83 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -82.67 100.26 10.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -77.02 117.78 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.6 t -125.35 130.24 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 174.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.61 -101.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.3 p -107.53 50.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.373 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.6 m -98.7 108.28 20.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.5 t -91.73 159.84 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.5 148.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.54 -5.83 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.414 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 84.1 t -96.05 -20.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.12 -51.83 71.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.785 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.3 Cg_endo -75.03 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 108' ' ' TRP . . . -50.19 -31.31 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.55 -42.76 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.785 HG22 ' HA ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -86.19 46.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.585 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -92.43 -62.17 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.585 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.02 -6.57 18.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.567 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 5.2 mm-40 -78.55 -49.35 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -43.75 -48.4 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.2 pp -91.82 109.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB1' ' CD1' ' A' ' 115' ' ' LEU . . . -170.52 177.41 4.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -122.71 44.25 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.755 ' O ' HD22 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -159.5 154.79 21.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.74 43.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.435 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . . . -142.82 106.52 4.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -177.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 129.67 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' A' ' 148' ' ' LEU . 18.3 Cg_endo -74.96 177.36 8.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.933 ' CG2' HG23 ' A' ' 134' ' ' THR . 0.6 OUTLIER -137.01 -46.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.7 m 70.27 134.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.434 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 123' ' ' VAL . 7.3 p -105.48 55.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 130' ' ' ILE . 8.7 p -43.19 148.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -67.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.83 104.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 129' ' ' ASP . 2.3 ttmm -65.71 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.613 1.196 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.53 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -173.36 -49.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 124' ' ' VAL . 18.9 pt -61.11 -28.24 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.4 m -58.92 -66.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.34 57.11 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.81 -53.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.933 HG23 ' CG2' ' A' ' 121' ' ' ILE . 82.8 m -62.16 -70.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 110.435 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -55.03 40.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 138' ' ' SER . . . -41.27 -67.19 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 85.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -137.65 67.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.69 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.55 142.22 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -47.53 -52.66 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 65.71 146.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.48 ' ND1' ' NH1' ' A' ' 89' ' ' ARG . 10.6 t60 -41.42 -61.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -173.28 -164.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -131.56 128.89 40.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.55 111.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -70.69 151.63 44.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -167.2 -167.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' ' HB ' ' A' ' 152' ' ' THR . 0.0 OUTLIER -132.77 -165.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -108.13 -52.14 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 151' ' ' ARG . 1.7 ptm85 -106.01 -34.31 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.229 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.48 ' HB ' ' CB ' ' A' ' 149' ' ' SER . 3.3 m -64.87 -13.28 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 74.14 -93.02 0.76 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.9 -67.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . -93.87 -93.99 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 157' ' ' ASP . 76.4 t 55.25 -90.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 0.711 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 155' ' ' GLY . 14.2 t70 -48.1 -42.83 30.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 159' ' ' LEU . 37.8 t -47.81 -80.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.402 ' N ' HG12 ' A' ' 158' ' ' VAL . 2.1 pp -46.37 -38.68 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -42.65 -57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.93 -45.64 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -67.4 -28.0 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -70.73 -21.98 62.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.212 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -91.99 -56.64 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -41.36 -35.47 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 32.0 m -59.13 -46.91 87.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 164' ' ' LYS . 28.2 mtt -48.98 117.68 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -99.42 160.9 19.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.913 HG22 HD21 ' A' ' 4' ' ' LEU . 1.1 pt -48.07 107.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 0.714 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.02 140.99 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.561 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.02 136.62 52.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 10.8 t70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -121.14 178.27 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -172.18 177.65 3.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.62 174.67 18.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mtt -171.68 -176.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HB3' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -98.55 123.93 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.845 HG11 HD21 ' A' ' 163' ' ' LEU . 4.9 m -121.23 137.66 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.74 ' CG1' HG23 ' A' ' 90' ' ' VAL . 9.4 p -117.25 143.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.5 mt -123.22 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.45 -177.51 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.54 55.91 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.165 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.482 HH12 ' HB2' ' A' ' 18' ' ' ALA . 16.0 mtm105 63.87 150.56 0.11 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -74.99 112.68 3.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 5.8 t30 78.56 85.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB2' HH12 ' A' ' 15' ' ' ARG . . . -168.78 35.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.21 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.47 54.39 3.76 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 0.709 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 m -63.73 -56.74 13.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -34.71 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -63.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.702 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -40.93 -47.91 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -45.21 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.12 -26.65 4.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.7 tp -66.54 -67.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.77 117.76 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.02 -26.78 3.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.866 HH21 ' CE1' ' A' ' 49' ' ' HIS . 11.7 mtm-85 -50.11 150.44 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.797 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.8 mp0 -92.65 -63.46 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.4 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' GLU . . . -83.0 106.98 15.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.77 138.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.33 140.78 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -122.9 -174.36 2.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -101.91 139.24 37.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' N ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -36.49 -42.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' N ' HG12 ' A' ' 38' ' ' ILE . . . 39.26 30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 96.13 115.08 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.529 HG22 ' NH2' ' A' ' 47' ' ' ARG . 11.9 p -52.88 122.94 10.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.415 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -59.46 148.84 31.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.25 84.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' C ' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -76.16 -4.14 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 45' ' ' VAL . 7.5 p 42.22 40.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.815 HD13 ' H ' ' A' ' 62' ' ' THR . 3.0 tp -121.43 73.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' NH2' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -109.49 15.82 22.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.163 . . . . 0.0 110.26 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.541 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -110.58 36.02 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.24 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.866 ' CE1' HH21 ' A' ' 30' ' ' ARG . 1.4 m170 51.38 -175.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 58' ' ' HIS . 1.4 pt -122.7 96.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -68.24 120.21 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.631 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 tp -152.88 102.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.39 -35.5 27.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -47.76 -95.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.7 151.36 37.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.97 84.07 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 5.0 t-80 -154.43 115.84 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.66 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 pp -99.82 128.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 61' ' ' ASP . 5.7 mt -123.95 160.8 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.559 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -151.09 119.4 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.815 ' H ' HD13 ' A' ' 46' ' ' LEU . 20.4 m -106.23 104.32 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.448 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.74 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -88.28 -96.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.67 18.28 14.69 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.16 162.31 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 0.795 . . . . 0.0 109.319 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -25.11 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.538 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . . . -70.41 -57.67 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.568 ' HB3' HG21 ' A' ' 84' ' ' ILE . 9.2 m -54.3 -37.08 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.14 -43.92 85.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -26.74 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.74 HG21 ' HB2' ' A' ' 63' ' ' ALA . 2.5 t -65.65 -46.09 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.65 52.7 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -165.43 -43.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.442 ' O ' HD13 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -67.41 -39.9 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . -90.4 39.55 3.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.557 1.16 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' GLY . 3.7 mt 40.36 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -161.58 135.21 6.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -51.64 150.56 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.68 64.32 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -106.91 -162.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.986 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.31 129.58 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 170.52 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 69' ' ' SER . 0.9 OUTLIER -173.88 128.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.72 -169.96 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -112.28 166.82 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.81 158.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -133.74 -55.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.476 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 40.1 mmt-85 -108.25 94.06 4.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.74 HG23 ' CG1' ' A' ' 11' ' ' VAL . 7.8 p -100.34 80.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -77.21 142.09 39.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.642 ' N ' HD22 ' A' ' 91' ' ' LEU . 70.8 m-85 -105.99 156.88 17.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 mmt -129.22 117.72 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.864 HG22 ' HG2' ' A' ' 120' ' ' PRO . 6.1 m -120.16 153.99 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.06 109.14 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.59 -150.03 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 t -87.98 50.25 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.9 m -101.55 130.82 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.375 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 m -120.1 102.81 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -99.91 174.81 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -16.23 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 t -93.02 -9.35 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.515 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -60.63 -51.78 77.3 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.0 Cg_endo -75.03 -38.17 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 62.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.7 OUTLIER 169.8 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.969 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -96.26 -16.51 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.468 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -66.48 -56.49 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 107.981 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.02 55.58 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -150.16 -51.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -42.48 -38.37 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -84.84 79.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.05 -179.93 8.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.077 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -115.18 54.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.06 156.16 14.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.74 42.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 118' ' ' LYS . . . -101.11 -70.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.53 ' NZ ' HD12 ' A' ' 159' ' ' LEU . 0.4 OUTLIER 82.88 88.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 145' ' ' LEU . 4.0 mt -90.02 150.47 43.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.864 ' HG2' HG22 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.04 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 147' ' ' ARG . 5.2 mt -136.29 151.09 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -103.5 142.58 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.446 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.14 42.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 1.035 HG12 HD11 ' A' ' 130' ' ' ILE . 6.6 p -79.8 175.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.606 ' H ' HG22 ' A' ' 124' ' ' VAL . 11.8 ptp180 -52.95 177.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.36 107.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.8 76.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.383 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.2 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.035 HD11 HG12 ' A' ' 124' ' ' VAL . 17.9 mm -67.43 -64.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.2 p -42.73 -40.37 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.09 -54.98 12.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -102.32 48.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -115.31 -39.59 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -69.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -39.07 -54.27 2.5 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.13 57.01 3.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 0.842 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.3 t 70.76 -69.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.621 ' O ' HG12 ' A' ' 140' ' ' VAL . 0.3 OUTLIER 174.42 -176.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 139' ' ' GLU . 0.4 OUTLIER 73.14 152.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -98.17 88.18 4.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.99 132.05 50.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -42.5 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -153.46 142.83 21.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.543 ' C ' HD12 ' A' ' 146' ' ' ILE . 8.9 mt -106.36 115.39 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 145' ' ' LEU . 4.3 mp -129.02 129.67 68.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.469 ' HB3' ' CG2' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -83.52 152.12 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.59 174.76 4.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.5 p -139.98 171.19 14.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.068 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.96 -75.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -85.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 87.8 m -66.12 137.74 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -79.66 61.86 4.2 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.21 -70.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -131.62 71.1 0.51 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 41.8 t -102.0 -46.63 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.98 -35.33 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.53 HD12 ' NZ ' ' A' ' 118' ' ' LYS . 0.3 OUTLIER -79.42 -23.63 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -47.24 16.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -60.29 -25.8 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -91.58 21.05 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.845 HD21 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -122.01 -44.14 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -66.24 -33.72 76.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -39.88 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.476 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 23.1 m -58.41 -72.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -50.2 131.89 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.88 168.67 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 170' ' ' HIS . 4.1 mm 55.16 169.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.514 ' N ' HG22 ' A' ' 169' ' ' ILE . 2.1 t-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.29 162.18 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -103.97 139.11 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 120.09 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.97 -166.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 151.71 46.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 10' ' ' VAL . 16.5 m -149.56 103.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.577 HG13 HG23 ' A' ' 90' ' ' VAL . 7.1 p -85.31 151.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt -129.84 88.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.87 -177.53 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.27 158.85 7.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.3 ptt85 -57.36 158.74 9.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.73 11.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.48 83.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.19 -57.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.31 68.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -110.2 -87.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 0.81 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 m -49.61 -31.1 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -44.6 83.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 HD22 ' A' ' 91' ' ' LEU . 7.6 tp -69.0 -43.08 75.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.711 ' C ' HD23 ' A' ' 24' ' ' LEU . 3.6 tt -43.76 -55.42 4.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' ND2' ' HB1' ' A' ' 33' ' ' ALA . 3.2 m-20 -44.07 -70.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.87 -49.73 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.94 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.49 -57.33 4.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.74 62.67 5.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -128.09 39.36 3.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 0.731 . . . . 0.0 110.25 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 54.48 169.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 42.96 81.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' HB1' ' ND2' ' A' ' 25' ' ' ASN . . . -63.23 118.8 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -103.63 124.0 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -130.98 140.97 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -136.29 151.62 49.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.93 78.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mm -56.86 159.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.52 -63.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' C ' ' HG1' ' A' ' 41' ' ' THR . . . -97.45 50.43 1.43 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 40' ' ' GLY . 77.1 p 40.64 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 p -127.37 147.1 50.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.67 -42.62 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.614 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -83.9 -0.67 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 44' ' ' ASP . 8.0 p 47.21 32.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.567 HD22 ' HA ' ' A' ' 61' ' ' ASP . 5.5 tp -110.04 99.33 8.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.06 4.51 7.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.597 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.7 mp0 -92.1 15.39 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 50.36 -175.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.779 HD13 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -130.25 166.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CE1' HH21 ' A' ' 160' ' ' ARG . 1.2 t-80 -170.48 102.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.72 87.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -41.03 -49.94 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.44 -89.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -128.82 132.94 24.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 55' ' ' MET . 18.3 Cg_endo -74.94 58.58 4.89 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.98 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -134.72 152.88 52.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.534 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.626 HD13 ' C ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -139.75 98.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.2 mt -113.65 146.35 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.567 ' HA ' HD22 ' A' ' 46' ' ' LEU . 7.1 m-20 -133.96 134.62 42.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 62' ' ' THR . 9.7 t -78.09 104.97 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 45' ' ' VAL . . . -65.31 -97.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.46 -72.28 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.108 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.1 -148.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.41 -47.72 16.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -64.13 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' VAL . . . -45.83 -53.48 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -49.05 -48.46 43.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.046 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -61.29 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -55.12 -29.91 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 63' ' ' ALA . 2.1 t -65.55 -26.89 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE1' ' CG ' ' A' ' 82' ' ' GLN . 5.0 mm-40 -90.68 -8.65 49.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 -89.81 -63.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -19.08 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.85 -20.52 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt 50.74 61.36 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.91 89.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.15 162.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.96 9.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.91 134.53 26.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -153.18 -159.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.16 152.59 32.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -149.72 -46.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 76.97 154.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.85 179.57 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.743 ' O ' HD11 ' A' ' 115' ' ' LEU . . . -67.43 155.29 39.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.468 ' HA ' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -116.81 -7.08 11.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 1.4 tpp180 -163.91 141.14 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 11' ' ' VAL . 1.4 p -132.33 127.46 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.871 HD11 HD21 ' A' ' 159' ' ' LEU . 0.7 OUTLIER -100.19 131.6 46.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.957 ' CE2' HG22 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -124.45 104.86 8.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.455 ' HA ' ' CG ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -82.61 135.31 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.69 109.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.63 148.12 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.366 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 122' ' ' THR . . . -62.9 135.55 43.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.716 HG23 ' OE1' ' A' ' 133' ' ' GLU . 2.3 m 39.31 56.51 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.0 m -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -104.23 98.5 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' ASP . 45.6 m-20 -107.42 169.92 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.8 -9.79 59.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.01 0.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.517 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.04 -51.78 3.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.04 -36.84 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.66 -13.24 40.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.21 -42.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.957 HG22 ' CE2' ' A' ' 92' ' ' PHE . 1.1 pt -92.57 25.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.478 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -79.57 -57.75 0.69 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -16.74 20.03 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.85 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.457 ' CE1' HG23 ' A' ' 140' ' ' VAL . 0.4 OUTLIER -87.37 48.02 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 tp -174.39 76.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -178.46 157.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.57 ' C ' HD22 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -92.24 37.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.743 HD11 ' O ' ' A' ' 87' ' ' ALA . 4.2 mm? -121.53 132.62 24.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.5 Cg_endo -75.08 138.15 22.48 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.91 139.77 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 162' ' ' HIS . 0.5 OUTLIER -117.41 143.95 45.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -128.66 140.53 38.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.455 ' CG ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.99 -168.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.413 1.744 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.565 ' CG1' HD22 ' A' ' 145' ' ' LEU . 63.5 mt -145.41 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.737 ' O ' HG21 ' A' ' 130' ' ' ILE . 2.1 m -115.06 59.76 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 123' ' ' VAL . 9.8 p -72.6 67.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -91.31 -175.69 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -43.15 160.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.4 m120 64.03 86.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -5.1 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.44 -46.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.737 HG21 ' O ' ' A' ' 122' ' ' THR . 4.9 mp -80.19 -37.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.4 m -64.84 -27.44 68.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.67 -30.36 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.592 1.182 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.716 ' OE1' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -74.26 -38.45 63.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.221 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.756 ' C ' HD23 ' A' ' 135' ' ' LEU . 7.8 t -75.19 -54.43 7.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.756 HD23 ' C ' ' A' ' 134' ' ' THR . 1.6 pt? 38.72 -150.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.415 ' N ' ' HG ' ' A' ' 135' ' ' LEU . . . -76.14 62.01 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.552 ' HG3' HD11 ' A' ' 145' ' ' LEU . 1.2 mpp? 60.86 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER 159.45 -35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.756 ' O ' HG12 ' A' ' 140' ' ' VAL . 12.0 pt-20 -166.37 173.17 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 139' ' ' GLU . 6.4 p 50.75 177.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.668 ' H ' HG22 ' A' ' 140' ' ' VAL . 6.1 t-20 -102.2 122.99 45.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -78.48 136.87 18.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -73.7 -48.8 29.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.41 124.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.565 HD22 ' CG1' ' A' ' 121' ' ' ILE . 1.1 mt -104.3 97.84 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 2.5 pp -125.96 165.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.21 147.33 33.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 148' ' ' LEU . 0.0 OUTLIER -174.64 145.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.603 ' N ' HD22 ' A' ' 148' ' ' LEU . 27.3 p -125.1 128.79 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.35 64.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.38 -70.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 38.8 p -103.71 6.25 36.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.83 52.54 51.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -40.8 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 158' ' ' VAL . . . -135.4 52.33 0.8 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.3 p -77.87 -2.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -50.86 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 155' ' ' GLY . 9.4 p -59.32 -22.44 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.871 HD21 HD11 ' A' ' 91' ' ' LEU . 1.4 tm? -78.75 -57.27 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.709 HH21 ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -49.63 -51.19 39.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.384 1.052 . . . . 0.0 110.376 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -49.27 -54.3 17.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -54.43 -33.43 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.413 HD13 HD13 ' A' ' 159' ' ' LEU . 3.4 mp -79.06 -24.4 43.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.53 -48.67 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -15.57 50.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 1.4 t -79.29 -59.48 2.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 58.5 mtm -43.8 105.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -75.36 162.2 53.31 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.2 pt -57.44 120.27 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.577 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.4 143.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -134.74 148.44 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.63 128.66 2.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.44 ' CE ' ' HB2' ' A' ' 88' ' ' ASP . 0.6 OUTLIER -170.08 150.43 3.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.921 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.546 ' HE3' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -113.86 146.74 39.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.741 HG21 HD21 ' A' ' 163' ' ' LEU . 5.8 m -126.17 147.34 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.61 139.11 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.906 HG22 ' HB3' ' A' ' 91' ' ' LEU . 1.1 pt -123.9 77.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.76 121.03 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 93' ' ' MET . . . -151.75 -168.21 15.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.499 HH21 ' CB ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -78.42 157.99 76.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.743 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -5.08 16.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -146.73 67.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 15' ' ' ARG . . . -131.59 -67.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.68 62.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.381 1.051 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -110.08 -15.96 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -86.59 -56.69 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -55.73 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.2 pp -58.53 -29.21 66.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.02 -19.73 59.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.82 21.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -121.26 42.15 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -108.78 -47.68 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.24 -55.0 1.53 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -40.83 116.96 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.2 tp10 -38.85 148.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.651 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . 62.5 -82.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 81.82 101.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pt -85.13 154.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.4 149.04 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -116.22 160.81 19.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.29 82.75 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.49 121.84 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.31 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' THR . . . -51.0 110.19 0.91 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 13.9 p -38.53 153.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -91.1 -19.5 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 42' ' ' THR . 22.9 mmt180 66.78 -60.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -67.67 -8.76 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' ARG . 22.8 t 70.55 -60.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.15 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -140.21 23.08 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.84 63.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 44.02 -165.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.525 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 50' ' ' ILE . 3.6 mp -114.92 -38.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 50.12 87.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 52' ' ' ILE . 1.9 tp -130.34 97.18 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.3 t70 -55.52 -49.55 72.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . -37.72 -82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.7 140.97 15.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.48 58.11 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -168.33 127.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.558 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -111.3 153.66 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 61' ' ' ASP . 18.4 mm -106.62 -98.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.507 ' N ' HG22 ' A' ' 60' ' ' ILE . 1.0 OUTLIER 156.38 69.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 62' ' ' THR . 3.0 m -67.02 69.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . -76.12 -160.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.66 -65.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.57 -168.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 0.816 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -73.37 -48.18 36.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -37.34 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.182 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 25.5 t -49.1 -35.9 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' HB2' HH21 ' A' ' 74' ' ' ARG . 30.1 m-20 -80.25 -51.27 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -50.93 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.28 -19.29 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 69' ' ' SER . 16.3 mm-40 -91.9 -9.01 44.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.479 HH21 ' HB2' ' A' ' 70' ' ' ASP . 8.0 mtm180 -93.12 -50.79 5.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.927 ' O ' HD13 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -68.32 -25.15 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.74 -15.35 58.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.451 1.094 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mt 57.75 101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -172.29 75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.252 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 48.18 -92.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -174.41 -55.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.26 91.73 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 36.94 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 42.96 86.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -78.41 141.19 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' N ' HD13 ' A' ' 84' ' ' ILE . 1.3 mm-40 -82.17 135.66 35.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.32 163.02 14.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.546 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . . . -77.33 149.99 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.44 ' HB2' ' CE ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -138.04 20.13 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.716 ' N ' HD12 ' A' ' 115' ' ' LEU . 6.4 mmm-85 -164.05 154.19 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.444 HG23 ' HG ' ' A' ' 115' ' ' LEU . 21.1 t -137.17 147.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.906 ' HB3' HG22 ' A' ' 12' ' ' ILE . 3.9 tt -129.07 91.96 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' HB3' HD13 ' A' ' 119' ' ' LEU . 11.0 m-85 -72.02 162.97 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.457 ' CG ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -149.38 124.76 10.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 110.989 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.58 116.24 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -64.65 113.0 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.14 -151.41 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.7 t -96.65 42.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.0 m -101.35 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.433 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.2 m -119.38 126.33 51.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -160.84 176.31 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.484 ' C ' HG23 ' A' ' 102' ' ' VAL . . . -49.64 177.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 4.3 t 76.36 -55.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -50.38 -51.7 61.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.01 1.89 7.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -95.64 -39.99 9.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.499 ' CB ' HH21 ' A' ' 15' ' ' ARG . 0.1 OUTLIER -95.46 51.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.25 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 108' ' ' TRP . 3.9 tt -143.45 -48.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -44.41 -56.39 8.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 108.029 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.03 56.45 4.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.369 1.721 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.29 -72.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.685 ' HB2' HG11 ' A' ' 140' ' ' VAL . 3.5 t80 -46.56 -34.99 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pp -95.16 81.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.381 1.05 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.89 -98.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.4 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 89' ' ' ARG . 1.4 pt? -68.14 150.18 97.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.05 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 143' ' ' HIS . . . -152.84 169.97 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.632 ' HZ3' HD23 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -142.36 122.96 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 92' ' ' PHE . 4.2 mm? -103.98 123.25 41.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.422 ' CG ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.96 175.95 10.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.558 1.82 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.634 HD11 ' CB ' ' A' ' 145' ' ' LEU . 7.7 mt -140.1 148.31 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.594 HG22 HG12 ' A' ' 124' ' ' VAL . 66.4 m -133.17 90.03 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.726 ' HA ' HG21 ' A' ' 130' ' ' ILE . 8.8 m -98.51 83.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.594 HG12 HG22 ' A' ' 122' ' ' THR . 2.4 p -137.07 120.66 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.377 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 127' ' ' LYS . 5.3 mtp180 57.76 172.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.505 ' HB2' HD12 ' A' ' 130' ' ' ILE . 6.9 m120 69.76 -65.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 125' ' ' ARG . 1.9 mttm 68.4 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -51.7 -60.61 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.62 -40.11 71.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 1.034 HG23 HG21 ' A' ' 134' ' ' THR . 9.9 mt -89.32 78.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -162.15 -73.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.39 -48.37 60.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.79 -62.53 1.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 0.793 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 1.034 HG21 HG23 ' A' ' 130' ' ' ILE . 21.7 p -47.22 -63.4 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -58.71 -75.54 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -37.45 -83.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER 35.13 74.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.981 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER -38.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 44.37 -150.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.685 HG11 ' HB2' ' A' ' 111' ' ' PHE . 1.2 m -106.84 179.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.63 81.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -61.33 140.35 47.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' ALA . 12.6 t-80 -59.53 -40.96 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.606 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -170.62 163.76 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.634 ' CB ' HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -132.22 113.13 12.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.751 HG21 HG11 ' A' ' 158' ' ' VAL . 13.3 mm -134.42 139.75 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -80.91 160.92 24.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.95 165.64 15.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.191 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.51 146.01 51.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -49.33 -70.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 151' ' ' ARG . 3.6 ptm85 -43.47 135.11 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 3.3 p -38.63 118.3 0.73 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 130.54 176.16 14.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 56.28 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . 81.08 -117.34 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 52.3 t 61.18 -83.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 155' ' ' GLY . 0.3 OUTLIER -51.45 -37.44 48.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 146' ' ' ILE . 16.0 t -57.02 -38.5 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.632 HD23 ' HZ3' ' A' ' 118' ' ' LYS . 3.3 mp -87.1 -22.52 25.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -37.77 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -32.36 59.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.85 -20.08 61.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.741 HD21 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -83.92 -10.81 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -22.6 15.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.21 -50.99 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 167' ' ' MET . 17.4 p -66.95 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 166' ' ' SER . 2.4 mmt 36.99 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.8 123.12 31.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.7 mt -59.91 118.28 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 26.8 t60 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.16 140.53 28.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -87.39 147.8 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.21 112.22 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.95 -160.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 111.017 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HD2' HD12 ' A' ' 60' ' ' ILE . 1.1 tptp -150.56 153.25 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 10' ' ' VAL . 13.2 p -135.65 117.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.888 ' CG1' HG22 ' A' ' 90' ' ' VAL . 14.4 p -76.86 148.58 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.578 HD13 ' HB2' ' A' ' 91' ' ' LEU . 4.5 mm -116.96 78.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -173.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.44 161.78 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -80.04 151.15 72.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.483 0.755 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 65.58 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.546 1.814 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.98 42.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.369 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.2 -53.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.08 57.12 0.02 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -61.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -41.65 88.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -45.37 79.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.825 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 9.0 mt -57.51 -54.64 44.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 49' ' ' HIS . 7.1 mt -45.37 -64.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -47.75 -35.74 10.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -54.93 -64.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 159' ' ' LEU . 0.5 OUTLIER -104.79 65.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.41 -63.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.05 -50.55 0.79 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -50.54 140.36 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.35 -58.28 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.231 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.07 84.79 2.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.63 -179.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 tp -146.54 96.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.92 143.5 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -125.19 113.6 17.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -98.0 84.06 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tp -142.18 152.29 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.217 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.91 50.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.11 126.6 8.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -72.96 -36.29 67.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.377 0.692 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 m 52.04 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -56.26 -40.7 74.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' O ' HG12 ' A' ' 45' ' ' VAL . 29.8 m-20 -59.5 -16.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.8 p 43.0 28.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.372 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -117.37 59.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -112.62 11.6 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' CA ' HD21 ' A' ' 24' ' ' LEU . 5.4 mp0 -96.24 46.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.56 ' HB2' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 57.99 -175.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.688 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.621 HG23 HG12 ' A' ' 60' ' ' ILE . 24.2 mm -128.72 83.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -61.89 85.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.598 HG21 ' HB3' ' A' ' 58' ' ' HIS . 12.9 mm -135.19 107.32 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.2 -31.36 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.37 -65.8 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.407 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -136.02 141.69 37.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 55' ' ' MET . 18.0 Cg_endo -74.98 147.84 34.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tp 74.36 52.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.598 ' HB3' HG21 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -123.18 148.63 45.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.3 mm -133.46 148.08 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.621 HG12 HG23 ' A' ' 50' ' ' ILE . 22.9 pt -137.42 -177.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.687 ' HA ' HD13 ' A' ' 46' ' ' LEU . 26.5 m-20 -135.77 149.69 49.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 m -105.41 -62.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HA ' ' HB1' ' A' ' 68' ' ' ALA . . . 56.23 -167.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.12 -63.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.31 -166.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.38 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 65.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -173.4 -44.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.861 ' HB2' HG21 ' A' ' 84' ' ' ILE . 68.7 p -68.06 -19.29 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.995 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -29.51 13.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -53.3 46.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' ' 44' ' ' ASP . 31.0 m -57.98 -28.38 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' GLU . 14.4 mt-10 -87.24 45.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 -48.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.452 HG21 ' OD2' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -75.35 -15.49 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -109.32 40.11 2.67 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 78' ' ' GLU . 1.1 mp 69.06 -59.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 77' ' ' ILE . 96.0 mt-10 -34.26 131.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -113.85 -33.94 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 79' ' ' ARG . . . -44.43 163.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.457 ' O ' ' CE3' ' A' ' 81' ' ' TRP . 50.5 p-90 -117.91 57.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.4 173.36 11.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.52 85.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.861 HG21 ' HB2' ' A' ' 69' ' ' SER . 7.1 tp -161.19 63.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.85 152.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -79.27 163.84 24.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.13 178.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.47 -49.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 116' ' ' PRO . 64.7 mmt-85 -128.97 163.11 26.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.888 HG22 ' CG1' ' A' ' 11' ' ' VAL . 90.2 t -131.91 163.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -132.9 90.98 2.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.79 83.73 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.415 ' SD ' HD11 ' A' ' 23' ' ' LEU . 13.9 tpt -79.47 140.18 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.77 155.43 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -97.04 101.68 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.91 -137.9 7.3 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.9 t -101.88 29.76 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.7 m -84.24 129.59 34.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.488 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' THR . 1.7 t -124.87 85.72 2.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -173.91 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -7.69 57.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 7.2 p -95.14 -15.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -58.8 -52.26 75.99 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.94 -9.11 20.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -74.78 -68.42 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.83 -32.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 107' ' ' ILE . 19.1 tt -96.62 99.95 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -179.36 -59.85 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -9.65 20.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.597 1.84 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.623 ' OE2' HG21 ' A' ' 90' ' ' VAL . 9.4 mm-40 -89.36 -49.0 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -37.72 -55.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.448 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.5 pp -78.71 92.5 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.552 ' HB1' ' CD2' ' A' ' 115' ' ' LEU . . . -168.5 177.23 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -118.5 42.63 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.643 HD12 HG23 ' A' ' 90' ' ' VAL . 1.3 pt? -149.38 143.21 16.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 89' ' ' ARG . 18.0 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.08 146.35 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -93.96 177.79 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.588 HD11 ' OE1' ' A' ' 139' ' ' GLU . 0.1 OUTLIER -163.04 103.39 1.01 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.36 11.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.46 ' HB ' HG23 ' A' ' 134' ' ' THR . 1.2 pt -104.93 97.11 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -44.21 162.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.6 p -149.6 52.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.46 164.67 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.55 -176.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.427 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.8 OUTLIER -42.6 126.46 3.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.224 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.98 66.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.01 -67.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.5 -71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.728 HD13 ' C ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -64.61 98.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 130' ' ' ILE . 0.9 OUTLIER 168.75 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.55 96.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.72 -16.84 33.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 0.744 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.46 HG23 ' HB ' ' A' ' 121' ' ' ILE . 0.9 OUTLIER -64.31 -61.62 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 pp -86.29 -36.02 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.23 53.83 4.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.412 1.07 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 139' ' ' GLU . 1.0 OUTLIER -109.12 -11.1 14.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 0.724 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.9 m 50.24 -93.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.588 ' OE1' HD11 ' A' ' 119' ' ' LEU . 55.2 mt-10 47.61 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.24 154.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.08 101.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -75.15 126.03 8.51 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' A' ' 144' ' ' ALA . 57.9 t-80 -81.07 78.18 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 143' ' ' HIS . . . 74.14 146.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.38 96.23 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mp -116.05 116.38 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 167.83 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -173.02 164.53 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.52 96.38 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -45.33 -29.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -53.68 -39.3 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 35.8 p -116.7 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 112.46 51.48 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.567 1.167 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.24 -70.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.286 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -110.26 62.87 0.28 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.545 ' CG2' ' HB1' ' A' ' 26' ' ' ALA . 1.4 p -97.21 -24.79 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -95.22 -13.54 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.03 -56.97 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.685 HD12 ' N ' ' A' ' 160' ' ' ARG . 2.9 pp -61.19 -22.85 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.685 ' N ' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -71.17 -24.52 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -76.2 -32.03 58.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -95.68 20.45 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.421 HD12 ' SD ' ' A' ' 167' ' ' MET . 0.2 OUTLIER -96.19 -61.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -47.13 84.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -48.8 -62.92 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 3.5 m -49.97 -57.96 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.075 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 163' ' ' LEU . 8.8 mtt -39.77 114.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -65.81 168.04 33.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 15.9 tt -88.56 137.77 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.556 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -153.14 -45.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.09 171.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.71 141.32 4.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.411 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -149.87 -172.77 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.969 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.514 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -98.69 147.12 25.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.803 HG21 HD11 ' A' ' 163' ' ' LEU . 3.1 p -143.86 110.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -106.3 151.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -144.6 78.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.88 131.35 44.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.91 165.17 38.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -39.65 137.96 1.04 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 134.7 18.07 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.471 1.774 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.6 t-20 80.94 61.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.17 -46.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.0 48.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.24 -30.77 12.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -46.7 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 m -60.53 -38.99 86.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -59.39 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -42.96 -44.44 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 14.9 m-20 -84.08 82.99 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 25' ' ' ASN . . . 167.33 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -65.39 -41.71 93.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -58.03 7.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.69 64.73 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -118.53 92.08 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.238 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -39.05 -55.29 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.97 94.29 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.49 171.81 7.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tt -167.45 142.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.88 151.37 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -137.43 141.61 41.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.57 97.87 8.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.558 HD13 ' HD2' ' A' ' 47' ' ' ARG . 5.8 tp -42.15 -48.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.2 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -106.2 118.18 5.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -38.91 138.77 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.726 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 t -91.74 114.08 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -27.87 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -69.07 -18.38 63.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG11 ' O ' ' A' ' 63' ' ' ALA . 36.8 t 70.15 -59.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.52 94.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HD2' HD13 ' A' ' 38' ' ' ILE . 6.8 ttp85 -119.45 -13.2 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.562 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.51 48.74 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER 41.91 -161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 52' ' ' ILE . 15.3 tt -112.38 166.53 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.404 ' N ' ' CG1' ' A' ' 50' ' ' ILE . 12.2 t-160 -107.98 59.54 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 56' ' ' PRO . 30.0 mm -43.63 -76.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t70 69.77 -65.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -80.56 -98.55 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -105.98 133.76 20.06 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.542 0.789 . . . . 0.0 111.025 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.508 ' HA ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.05 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.81 -57.89 0.56 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -47.84 114.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.604 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -94.33 150.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.358 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -134.75 133.74 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CB ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -106.52 118.37 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.514 ' HB ' ' CG ' ' A' ' 9' ' ' LYS . 82.6 p -111.88 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.467 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.58 ' O ' HG11 ' A' ' 45' ' ' VAL . . . -59.11 -98.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.6 -89.87 0.14 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -177.3 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -64.31 -53.62 45.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.44 -70.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.21 -45.63 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -70.42 64.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.97 -55.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -39.89 93.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 63' ' ' ALA . 28.7 m -49.38 -45.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 78' ' ' GLU . 8.0 mm-40 -61.34 -27.97 68.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.35 -40.07 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.18 -34.1 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.81 21.02 47.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 77' ' ' ILE . 32.0 mm 47.71 84.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.7 mp0 -158.97 152.3 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 79' ' ' ARG . 22.0 ttp-105 -76.68 131.94 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.23 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.6 t90 66.55 70.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 108.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -70.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.32 165.92 3.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -177.56 131.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -79.27 165.71 22.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 150.0 29.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.01 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -122.16 -64.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -110.98 143.85 41.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.493 HG13 ' CB ' ' A' ' 117' ' ' ALA . 12.2 p -136.69 130.51 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.525 HD11 ' NZ ' ' A' ' 118' ' ' LYS . 9.4 tt -139.65 95.66 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 17.2 p90 -97.13 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 tpt -64.6 148.82 50.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' A' ' 92' ' ' PHE . 88.6 t -118.49 139.11 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.14 108.97 10.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.05 -154.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.424 1.078 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 t -77.43 -39.53 46.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -47.6 120.16 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 m -112.8 92.77 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.83 172.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.23 -10.85 59.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.448 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 34.6 t -94.17 -17.38 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.78 -51.74 73.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.66 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.3 Cg_endo -74.97 -28.49 9.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 102' ' ' VAL . . . -64.21 -30.53 71.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -28.85 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.66 HG22 ' HA ' ' A' ' 104' ' ' PRO . 1.5 tp -106.64 26.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.3 -51.46 34.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.08 -42.09 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.541 1.811 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.499 ' CB ' ' CD1' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -46.04 -52.66 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.338 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -37.75 -55.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.618 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 1.1 pt -93.58 107.85 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 167.57 127.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -68.78 72.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 115' ' ' LEU . 4.3 pp -161.18 133.23 4.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.1 Cg_endo -74.97 146.66 33.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.493 ' CB ' HG13 ' A' ' 90' ' ' VAL . . . -128.12 -173.1 2.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.85 ' HD3' ' HB3' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -140.18 160.62 39.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -141.72 116.03 6.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.0 133.72 16.92 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 145' ' ' LEU . 10.8 mm -82.01 148.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.583 ' CG2' HG22 ' A' ' 124' ' ' VAL . 16.7 m -101.88 115.04 29.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.088 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 123' ' ' VAL . 65.8 t -114.23 46.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.583 HG22 ' CG2' ' A' ' 122' ' ' THR . 19.7 m -125.57 162.33 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.59 -162.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.18 133.96 56.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -73.83 -20.81 60.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.11 76.3 10.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.33 -41.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.568 HD13 ' O ' ' A' ' 122' ' ' THR . 55.4 mt -51.44 -70.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.595 1.184 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 134' ' ' THR . 3.6 t -39.52 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.461 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 130' ' ' ILE . . . -69.82 -51.15 25.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -63.91 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.338 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 131' ' ' THR . 4.8 t -40.07 -50.65 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.446 ' N ' HG23 ' A' ' 134' ' ' THR . 10.0 mt -41.39 -53.13 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -113.98 47.6 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER -36.6 -38.72 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.4 m 172.28 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.49 96.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 117.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 86.2 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -81.98 144.86 24.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 1.4 t-80 -40.25 -53.33 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 0.819 . . . . 0.0 109.571 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.85 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . . . -153.98 -171.09 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -166.91 105.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 6.9 mt -133.16 144.57 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.535 ' HE ' HG21 ' A' ' 123' ' ' VAL . 6.8 ptp85 -47.55 157.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.46 HD13 ' H ' ' A' ' 149' ' ' SER . 0.1 OUTLIER -153.11 152.4 31.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.46 ' H ' HD13 ' A' ' 148' ' ' LEU . 4.1 t -148.31 148.55 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.46 -75.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 154' ' ' GLU . 23.8 m -71.89 81.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -52.1 89.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 152' ' ' THR . 1.8 mm-40 -56.21 -50.8 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.41 ' O ' HD21 ' A' ' 148' ' ' LEU . . . -137.79 71.85 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.54 -12.55 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.12 -17.86 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 26.7 m -87.86 -4.99 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -105.64 -30.05 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.524 ' HG3' HD11 ' A' ' 27' ' ' LEU . 7.0 ttm180 -61.48 -34.96 76.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -55.02 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -43.82 -40.02 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.803 HD11 HG21 ' A' ' 10' ' ' VAL . 3.1 mm? -70.9 -45.5 64.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 53.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.58 -45.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 28.9 p -75.55 -14.44 60.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.079 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.7 114.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -84.4 155.0 30.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 170' ' ' HIS . 1.9 pp -50.96 175.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.429 ' HB2' HD12 ' A' ' 169' ' ' ILE . 2.4 t-80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -113.9 169.83 8.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.66 -177.79 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 113.3 1.02 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.458 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -178.0 132.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 111.017 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.666 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -65.2 -174.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.19 131.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.326 1.016 . . . . 0.0 109.375 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 90' ' ' VAL . 59.5 t -90.32 151.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 12' ' ' ILE . 71.2 mt -142.16 69.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.57 -167.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.88 -170.5 16.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.67 157.7 38.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 142.07 27.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 72.42 71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.04 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' SER . . . -179.02 -124.51 0.88 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.7 -75.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' GLY . 99.8 p -50.26 -31.47 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -83.14 -48.96 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -48.96 -66.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -41.11 -60.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -47.81 -50.74 25.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 156' ' ' VAL . . . -51.31 -48.18 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.32 53.38 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.74 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 -56.07 0.71 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -61.06 143.97 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -60.06 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 148.86 28.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 25' ' ' ASN . . . -116.45 125.87 52.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mt -125.12 110.69 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.68 138.57 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.8 p -112.5 129.78 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -99.31 78.96 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.738 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -123.26 140.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.01 54.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -141.67 126.78 3.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -84.9 93.45 8.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 0.741 . . . . 0.0 110.434 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.3 p -46.12 145.12 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -48.44 68.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.724 ' CB ' HG23 ' A' ' 72' ' ' VAL . 2.5 p30 -66.4 -17.86 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.1 p 47.69 30.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.964 HD12 HG23 ' A' ' 62' ' ' THR . 0.2 OUTLIER -123.28 65.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 13.39 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.48 42.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.8 t60 50.14 -172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 0.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.756 ' HB ' HD12 ' A' ' 60' ' ' ILE . 4.0 pt -144.53 83.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -42.68 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.619 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 52' ' ' ILE . 9.0 tp -125.95 102.11 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.626 1.204 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.03 96.74 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.69 -75.63 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.75 147.9 60.27 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.454 0.738 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -38.46 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.08 90.61 0.86 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.484 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -176.55 90.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 109.637 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.35 130.31 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.756 HD12 ' HB ' ' A' ' 50' ' ' ILE . 59.3 mt -109.52 165.92 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.543 ' HA ' HD13 ' A' ' 46' ' ' LEU . 11.3 m-20 -139.6 131.75 28.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.964 HG23 HD12 ' A' ' 46' ' ' LEU . 78.4 p -114.09 50.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.458 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.09 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 88.44 20.27 49.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -171.8 177.31 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.86 -21.09 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.43 -48.93 8.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.99 -4.55 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -77.69 -52.65 8.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.57 -43.71 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.21 -47.3 62.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.724 HG23 ' CB ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -72.4 -21.01 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.14 49.17 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -167.64 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.42 27.14 21.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.7 mt 44.87 86.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.23 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -155.73 160.45 40.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.245 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.97 168.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.247 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.13 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -101.81 -175.4 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 108.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.88 -175.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.27 156.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 72' ' ' VAL . 97.0 mt 64.34 151.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 86' ' ' GLN . 38.1 tt0 -136.07 -62.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.5 mt-30 166.13 145.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' A' ' 9' ' ' LYS . . . -77.48 161.73 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.45 42.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.536 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -175.66 126.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 116' ' ' PRO . 7.3 p -130.63 99.1 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.718 HD21 HD22 ' A' ' 159' ' ' LEU . 1.2 tp -77.33 89.14 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.468 ' O ' HD13 ' A' ' 119' ' ' LEU . 1.1 t80 -88.78 105.59 17.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.42 ' HE3' ' HB2' ' A' ' 93' ' ' MET . 3.0 ptm -96.22 162.03 13.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.568 HG22 ' HG2' ' A' ' 120' ' ' PRO . 35.5 m -136.47 176.24 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 2.9 t0 -119.3 114.74 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASP . . . 36.97 -150.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 129' ' ' ASP . 10.6 t -83.8 2.45 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 p -78.82 87.25 4.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 m -104.28 69.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -166.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.69 37.34 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.7 p -116.73 -35.67 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.568 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.13 -48.68 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -75.01 -2.83 13.05 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -102.88 -9.17 20.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.94 -0.37 14.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 139' ' ' GLU . 4.0 tt -92.75 -7.45 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.471 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -64.98 -55.74 25.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.0 Cg_endo -75.02 55.57 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -169.3 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.603 ' CE1' HG23 ' A' ' 140' ' ' VAL . 13.3 t80 -39.67 -41.74 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -101.33 113.21 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 172.15 -178.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -105.42 -18.14 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 89' ' ' ARG . 1.5 pt? -81.65 141.91 48.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.553 ' O ' HG12 ' A' ' 90' ' ' VAL . 18.8 Cg_endo -74.92 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.13 130.81 18.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.439 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -103.33 124.11 48.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 92' ' ' PHE . 3.3 mm? -116.49 134.46 22.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.568 ' HG2' HG22 ' A' ' 94' ' ' VAL . 18.5 Cg_endo -74.98 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.43 HD11 ' O ' ' A' ' 145' ' ' LEU . 57.2 mt -141.74 -49.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.416 HG22 ' CG1' ' A' ' 124' ' ' VAL . 2.5 m 69.64 74.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.634 1.209 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 124' ' ' VAL . 9.1 p -56.62 -56.18 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.555 ' N ' HG13 ' A' ' 123' ' ' VAL . 17.8 m 34.15 -147.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.208 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.461 ' N ' HG23 ' A' ' 124' ' ' VAL . 6.6 mtt85 -61.57 114.42 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.543 ' HA ' HG21 ' A' ' 130' ' ' ILE . 2.1 p-10 -69.72 59.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -78.59 -173.71 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.21 55.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.514 ' CG ' HG21 ' A' ' 97' ' ' THR . 30.8 m-20 -149.97 -45.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.543 HG21 ' HA ' ' A' ' 126' ' ' ASN . 1.0 OUTLIER -39.32 -33.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.419 ' N ' ' C ' ' A' ' 129' ' ' ASP . 6.7 m -83.66 -52.68 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.33 -11.56 34.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 129' ' ' ASP . 25.2 tp10 -99.22 -52.94 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -41.63 -43.4 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -31.55 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.75 -42.83 53.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 61.76 3.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.47 43.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 139' ' ' GLU . 5.1 pt-20 -102.65 102.82 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.603 HG23 ' CE1' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 72.33 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -81.76 114.02 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.95 -110.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.85 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 0.731 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.564 ' HB1' HD12 ' A' ' 146' ' ' ILE . . . -109.74 -34.8 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.43 ' O ' HD11 ' A' ' 121' ' ' ILE . 28.8 mt 45.87 71.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.564 HD12 ' HB1' ' A' ' 144' ' ' ALA . 42.7 mt -129.72 147.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 168.81 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.233 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.32 -177.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.44 156.58 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.04 -84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -61.55 -71.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 152' ' ' THR . 32.6 m -72.32 60.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.448 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -54.14 98.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.33 -51.37 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.519 ' O ' HG22 ' A' ' 158' ' ' VAL . . . -127.23 73.92 0.44 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.599 HG11 ' HB1' ' A' ' 26' ' ' ALA . 6.1 t -95.45 -23.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 160' ' ' ARG . 3.1 p30 -73.39 -44.15 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 155' ' ' GLY . 28.0 m -40.3 -42.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.718 HD22 HD21 ' A' ' 91' ' ' LEU . 1.5 mt -68.06 -47.32 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.0 OUTLIER -51.28 -55.78 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -50.41 -44.06 54.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.423 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 46.5 m-70 -94.2 50.19 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.24 -50.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.62 1.2 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -14.75 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.92 -32.39 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -65.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.434 ' HB3' ' CB ' ' A' ' 8' ' ' MET . 3.0 mmm -146.07 157.63 43.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -171.13 -46.48 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -35.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 71.8 147.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.3 119.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.96 175.89 20.57 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.444 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER 175.1 -176.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -120.08 160.12 23.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.237 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG21 HD11 ' A' ' 163' ' ' LEU . 7.7 p -136.13 108.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.597 HG13 HG22 ' A' ' 90' ' ' VAL . 8.7 p -88.8 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.809 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -133.38 129.95 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.65 130.65 53.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.54 143.55 8.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.26 157.12 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.43 5.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.817 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.643 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 169.63 164.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 79.9 58.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 -107.43 2.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptm 71.58 -77.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.407 0.71 . . . . 0.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -72.97 -35.95 67.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.466 ' HB3' ' HB1' ' A' ' 150' ' ' ALA . 0.5 OUTLIER -47.45 -55.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.508 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.83 -40.29 79.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.832 HD21 ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -48.54 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.52 -66.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB1' HG21 ' A' ' 156' ' ' VAL . . . -45.16 -53.77 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.73 -59.47 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ARG . . . 112.52 -50.8 0.74 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 6.9 mtt180 -38.86 112.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -38.87 -58.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.56 99.48 10.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.44 168.25 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.03 127.22 67.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.94 127.15 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.8 p -125.64 120.38 30.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.396 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 105.52 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.583 HD13 ' N ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -168.28 145.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.583 ' N ' HD13 ' A' ' 38' ' ' ILE . . . -83.7 60.49 5.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.96 -44.85 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 41' ' ' THR . 52.0 m 51.48 49.24 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.436 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.3 142.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -12.17 60.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.61 -2.69 54.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.701 HG11 ' O ' ' A' ' 63' ' ' ALA . 69.8 t 66.56 -68.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' ASP . 12.1 tp -38.36 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.38 17.36 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.832 ' HA ' HD21 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -125.02 52.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.8 m80 45.41 -169.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 tp -123.14 144.02 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -105.21 101.08 10.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.95 121.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -55.83 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.92 27.51 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.21 162.71 21.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.73 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.11 37.68 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -117.14 102.06 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.58 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.54 143.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 8.2 mt -124.06 -66.36 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 60' ' ' ILE . 1.5 m-20 81.52 97.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 53.7 m -45.79 -48.91 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.063 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.701 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 61.5 -162.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.77 -85.74 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.39 137.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 mtt85 61.21 -90.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 72' ' ' VAL . . . -47.34 -33.93 6.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.7 m -81.34 52.31 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -166.67 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -33.24 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.635 HG11 ' HB2' ' A' ' 63' ' ' ALA . 13.8 m -64.65 -17.53 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.178 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.57 -34.17 12.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -70.31 -44.76 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.96 -40.21 88.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 77' ' ' ILE . . . -86.7 6.54 82.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.405 ' CG1' ' C ' ' A' ' 76' ' ' GLY . 1.2 pt 39.82 85.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -161.01 87.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.05 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.66 -54.69 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.16 103.34 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -93.12 -75.83 0.49 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -174.64 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER 62.13 141.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -102.86 170.8 7.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.115 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -102.82 128.6 49.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.33 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.87 54.07 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 175.73 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.682 HG11 ' HG2' ' A' ' 110' ' ' GLU . 53.4 t -103.0 134.49 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 118' ' ' LYS . 14.9 tp -137.61 113.96 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.17 122.91 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.71 154.96 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -149.68 142.95 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -66.93 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.31 -75.2 0.2 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 97' ' ' THR . 3.2 m -103.76 41.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 0.81 . . . . 0.0 110.389 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.3 p -123.05 141.56 51.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -141.9 146.46 35.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -167.2 -167.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.94 17.46 24.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.25 -29.33 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.587 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.79 -47.7 3.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.186 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.1 -11.32 21.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.85 59.33 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.4 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 0.9 OUTLIER 171.96 -32.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.41 ' CG1' ' HA ' ' A' ' 104' ' ' PRO . 2.3 pp -77.68 -39.58 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -56.99 -59.74 11.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.046 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.682 ' HG2' HG11 ' A' ' 90' ' ' VAL . 1.2 tp10 -146.97 -60.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.509 ' HB2' HG21 ' A' ' 140' ' ' VAL . 3.3 t80 -37.1 -40.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 41.8 mm -69.29 78.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.743 ' HB1' HD21 ' A' ' 115' ' ' LEU . . . -172.92 162.52 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.88 61.14 1.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.743 HD21 ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -156.02 142.03 12.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.3 Cg_endo -75.05 142.39 27.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.72 120.32 21.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.418 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 1.4 mtmm -84.11 170.64 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.7 tp -141.39 117.19 7.25 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.2 Cg_endo -75.01 131.48 14.33 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 134' ' ' THR . 27.3 mm -109.34 137.38 41.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.433 ' O ' HD13 ' A' ' 130' ' ' ILE . 14.8 t -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 123' ' ' VAL . 7.3 p -149.16 42.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.689 HG22 ' HD3' ' A' ' 125' ' ' ARG . 11.8 p -85.29 78.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.689 ' HD3' HG22 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 35.48 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 125' ' ' ARG . 15.7 t-20 -50.18 -72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.517 ' HB3' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 39.93 83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 44.42 27.28 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER 64.68 128.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.8 ' O ' HD12 ' A' ' 130' ' ' ILE . 1.8 pp -106.4 54.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.232 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.3 m -140.61 -63.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -38.75 -49.94 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.97 -49.3 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.469 HG23 HD12 ' A' ' 121' ' ' ILE . 11.0 m -39.85 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.78 -15.59 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.64 -45.72 82.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.1 ptp -86.12 60.8 6.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.5 p -103.63 36.45 2.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -42.91 -54.57 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 111' ' ' PHE . 54.0 t -121.9 146.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -63.92 79.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -48.13 135.23 17.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -43.9 -49.88 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.507 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.08 167.96 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 46.2 mt -126.27 110.79 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 13.0 mm -136.18 139.27 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -80.26 148.14 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.1 tp -132.06 136.31 47.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.508 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 28.8 t -109.54 -33.88 6.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.952 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 72.35 -61.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -41.15 -62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 5.4 t -107.99 17.39 22.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 39.92 68.44 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -121.12 42.49 1.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.448 HG21 ' HB1' ' A' ' 26' ' ' ALA . 2.2 p -70.76 -11.5 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.53 -29.57 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 33.4 t -66.2 -37.54 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 16.3 mt -91.84 21.6 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -123.79 -41.93 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -70.37 -57.08 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.66 -27.19 68.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 10' ' ' VAL . 2.8 tt -67.88 -49.37 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.05 -25.59 65.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.183 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -45.55 61.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 13.9 t -49.66 -44.53 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.1 mtm -52.68 104.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 -177.05 21.97 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 5.7 mt -64.85 144.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.61 141.22 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.0 170.34 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 120.97 0.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.25 163.28 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.857 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -109.51 157.24 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.716 HG11 HD21 ' A' ' 163' ' ' LEU . 9.8 p -143.3 145.96 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.734 HG13 HG22 ' A' ' 90' ' ' VAL . 8.0 p -117.26 147.87 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.434 HD12 ' OE1' ' A' ' 48' ' ' GLU . 2.9 mt -129.0 73.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.59 160.38 28.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.94 168.57 24.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.56 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -71.07 155.87 92.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.12 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.44 75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.062 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . . . -152.15 -48.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.5 68.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -116.19 -40.22 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -67.43 -55.65 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m -57.75 -44.61 86.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -48.25 73.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -50.44 -49.92 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -44.2 -53.73 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.8 -60.15 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.753 HD11 ' CD1' ' A' ' 163' ' ' LEU . 1.2 tt -76.36 69.56 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . 178.09 -65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.48 -117.67 2.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 39.27 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -40.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -62.38 -72.73 0.12 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 71.01 95.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -124.92 123.89 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -110.66 152.56 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.2 p -106.61 136.99 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -97.76 71.99 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.9 153.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.34 -43.89 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.31 127.68 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 p -77.32 111.92 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.0 m -63.6 113.31 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -56.5 -39.97 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -63.87 -14.11 50.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 44' ' ' ASP . 25.4 t 67.74 -60.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 60' ' ' ILE . 14.1 tp -38.32 98.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -138.26 14.99 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' OE1' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -118.79 53.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.1 m170 46.47 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.629 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.729 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -135.51 88.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -51.46 99.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.578 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 55' ' ' MET . 2.4 mp -63.6 -83.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 3.2 t70 77.35 -60.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.61 -96.46 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.766 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -115.83 159.38 39.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.767 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.21 2.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.454 1.765 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 72.91 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -156.35 117.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.582 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.67 122.72 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.541 ' O ' HD22 ' A' ' 46' ' ' LEU . 10.2 mt -109.63 152.39 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.83 112.94 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.857 HG22 ' HB2' ' A' ' 9' ' ' LYS . 75.8 p -83.92 67.63 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' CB ' HG21 ' A' ' 84' ' ' ILE . . . -54.0 174.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.33 -58.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.579 1.174 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.9 165.44 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.384 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.57 -51.1 64.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.74 -62.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -46.25 -57.99 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.47 -32.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -89.78 -49.95 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.55 -50.64 52.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 68' ' ' ALA . 25.9 m -54.65 -49.54 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' N ' HG23 ' A' ' 72' ' ' VAL . 5.7 mm-40 -57.7 -24.51 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.365 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -75.48 -34.57 60.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.236 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.1 mm -75.89 -31.04 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.13 8.05 80.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 77' ' ' ILE . 28.0 mm 50.14 63.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -174.44 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.67 156.36 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.75 -58.32 8.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -91.86 114.6 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -166.43 134.33 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -69.8 144.37 52.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.412 HG21 ' CB ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -142.13 128.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.234 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.55 154.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.69 175.84 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.3 135.27 38.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.889 ' C ' HD12 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -122.61 -54.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 166' ' ' SER . 58.2 mtt180 -125.87 137.35 53.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.734 HG22 HG13 ' A' ' 11' ' ' VAL . 3.0 t -111.03 148.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.52 HD22 ' C ' ' A' ' 90' ' ' VAL . 1.6 mm? -114.74 68.98 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CE1' HG12 ' A' ' 107' ' ' ILE . 5.3 t80 -62.83 107.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 mmt -98.3 121.61 40.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 96' ' ' GLY . 20.9 t -131.72 135.1 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.58 -36.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.703 ' H ' HG12 ' A' ' 94' ' ' VAL . . . 81.85 29.25 39.24 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.7 m -155.81 -47.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 98' ' ' THR . 3.7 t -97.58 117.97 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.9 m -111.38 71.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 110.393 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.33 178.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.58 3.82 42.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 23.7 t -99.39 -30.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -54.1 -51.68 75.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.05 -11.48 21.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -75.54 -9.05 58.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.71 8.23 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -109.6 -34.64 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.213 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.472 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.77 -56.57 9.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 109' ' ' PRO . 3.3 mt-10 -166.63 -50.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.353 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -39.73 -46.59 1.91 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.736 HD13 ' C ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -84.45 96.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.87 -164.4 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.3 51.96 1.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.889 HD12 ' C ' ' A' ' 88' ' ' ASP . 0.3 OUTLIER -151.87 142.68 15.32 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 158.58 41.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.51 164.56 27.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -115.26 145.46 42.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.37 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 145' ' ' LEU . 0.3 OUTLIER -144.36 118.56 5.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.3 Cg_endo -74.96 147.3 33.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 122' ' ' THR . 12.6 mm -75.24 -125.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.645 HG23 ' HB ' ' A' ' 130' ' ' ILE . 1.5 t -177.35 138.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.442 ' HA ' ' CD1' ' A' ' 130' ' ' ILE . 11.1 p -148.74 36.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.9 m -112.88 175.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.49 -161.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -61.46 -178.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -94.91 -50.99 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.8 75.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.15 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.645 ' HB ' HG23 ' A' ' 122' ' ' THR . 3.4 pt -93.09 22.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -115.61 -49.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.64 -66.55 2.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -42.04 -42.92 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 0.808 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -47.06 -80.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.452 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.85 -41.06 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.47 -45.25 29.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 95.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.9 t -149.76 52.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -62.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.27 147.44 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -46.79 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 64.13 145.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 162' ' ' HIS . 22.8 t-160 -96.21 -54.94 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -107.67 150.14 27.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 119' ' ' LEU . 4.0 mt -143.44 60.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 9.8 mm -122.32 135.93 60.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.431 ' HA ' ' CB ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -70.63 179.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 110.345 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.59 HD13 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER 179.81 154.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 153' ' ' GLY . 6.0 p -133.66 100.91 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.012 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -43.49 -60.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 10.0 t -126.91 15.97 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 50.61 71.55 0.62 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -60.75 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.2 69.45 0.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.493 HG22 HD11 ' A' ' 148' ' ' LEU . 39.0 t -88.68 -32.08 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.16 47.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.59 HD12 HD13 ' A' ' 148' ' ' LEU . 7.3 mt -152.4 -48.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -19.69 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 164' ' ' LYS . 63.5 m-20 -71.66 -70.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 143' ' ' HIS . 3.4 m-70 -40.07 -48.72 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.753 ' CD1' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.55 -48.04 48.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 161' ' ' ASN . 0.0 OUTLIER -87.12 47.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -145.67 -46.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.241 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 89' ' ' ARG . 60.1 p -70.12 -22.16 63.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -58.76 132.74 54.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -98.55 158.38 20.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 pt -76.95 96.7 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.556 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.4 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.22 132.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 168' ' ' GLY . 0.0 OUTLIER -120.83 166.44 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.2 115.16 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.481 ' CB ' ' HB3' ' A' ' 167' ' ' MET . 0.0 OUTLIER 176.87 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.891 ' HB3' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -107.22 -162.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 9' ' ' LYS . 1.4 m -150.75 -174.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.683 HG12 HG22 ' A' ' 90' ' ' VAL . 9.4 p -135.05 128.74 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.774 HG22 ' HG ' ' A' ' 91' ' ' LEU . 2.6 pp -129.9 113.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.03 159.36 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.01 -166.14 33.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 135.55 1.36 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.68 33.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.1 t30 42.19 64.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.98 32.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' HD13 ' A' ' 23' ' ' LEU . . . 95.27 60.57 1.05 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.112 . . . . 0.0 111.046 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 -64.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 0.811 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -59.58 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.87 -37.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 150' ' ' ALA . 0.4 OUTLIER -60.93 -56.88 15.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.393 1.058 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -48.01 -54.38 13.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -43.1 -50.62 6.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.7 -58.94 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 163' ' ' LEU . 5.0 tp -50.99 -66.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -45.92 -59.08 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.31 59.41 7.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -115.58 115.42 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.384 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -39.28 111.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.84 90.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.28 -178.93 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 34' ' ' ILE . 1.9 tt -138.63 110.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.193 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.0 133.33 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 p -112.11 173.02 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -131.02 81.93 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.518 HG21 ' HD2' ' A' ' 47' ' ' ARG . 10.7 tp -61.18 143.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.27 -58.38 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.75 38.91 3.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 42' ' ' THR . 1.7 m 42.6 -157.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 0.736 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.533 ' H ' HG22 ' A' ' 41' ' ' THR . 54.6 m -141.34 141.67 33.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.9 84.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.588 ' HB3' HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -76.41 -4.83 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 44' ' ' ASP . 7.7 p 43.22 31.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -107.63 76.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.518 ' HD2' HG21 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -112.72 11.47 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' HIS . 25.5 mm-40 -106.7 23.64 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLU . 60.8 m80 46.65 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.535 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.762 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -139.46 149.16 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.471 ' CE1' ' NH2' ' A' ' 160' ' ' ARG . 6.7 t-80 -125.75 140.93 52.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 tp -142.71 97.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.07 95.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.7 -128.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.64 120.17 5.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.25 14.96 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.9 70.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -157.21 135.22 10.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.5 mm -139.75 114.47 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 61' ' ' ASP . 9.3 mt -95.46 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.611 ' OD1' HD11 ' A' ' 84' ' ' ILE . 3.5 p-10 -144.67 148.71 34.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.891 HG22 ' HB3' ' A' ' 9' ' ' LYS . 43.3 p -110.72 69.0 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.467 ' HA ' HG21 ' A' ' 72' ' ' VAL . . . -51.61 -96.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 55.01 19.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.24 163.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -24.74 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -93.3 -49.43 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -55.76 -39.27 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.619 1.199 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -47.55 -33.56 6.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -80.61 -67.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.85 -23.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 68' ' ' ALA . 4.7 t -67.5 -43.56 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -36.64 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -66.65 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -23.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.97 4.82 84.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm 50.94 64.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.09 -178.68 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' TRP . 2.3 mtm180 -97.43 134.58 40.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 66.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.383 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -155.36 -53.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -46.08 128.98 9.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -56.29 178.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.611 HD11 ' OD1' ' A' ' 61' ' ' ASP . 5.2 tp -155.73 119.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.467 ' HG2' ' CE1' ' A' ' 170' ' ' HIS . 1.1 mm-40 -53.15 132.19 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -88.28 156.49 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.92 171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.499 ' OD1' ' CE ' ' A' ' 167' ' ' MET . 41.9 m-20 -156.88 -53.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.8 tpt85 -100.93 148.77 24.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.683 HG22 HG12 ' A' ' 11' ' ' VAL . 91.8 t -139.8 161.79 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.774 ' HG ' HG22 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.4 103.69 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 35.3 p90 -107.42 107.85 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 150.97 43.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.85 130.06 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.27 103.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.211 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.82 -128.44 1.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.864 HG23 HG21 ' A' ' 122' ' ' THR . 37.5 p -110.99 78.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.8 p -123.11 121.21 35.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -107.27 107.12 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.31 176.73 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.9 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.9 p -94.46 2.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.53 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.66 -51.19 3.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.99 1.02 8.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.446 1.761 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -47.8 -31.03 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -149.15 57.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' A' ' 104' ' ' PRO . 62.8 mt -131.11 -61.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.502 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.4 OUTLIER -40.92 -53.92 5.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -160.76 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' ALA . 6.8 mm-40 68.3 -68.74 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.551 ' CG ' HG11 ' A' ' 140' ' ' VAL . 7.7 t80 -46.71 -26.22 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.3 pt -68.44 -39.16 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.673 ' HB3' ' CD2' ' A' ' 115' ' ' LEU . . . -63.31 -172.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 114' ' ' ARG . 4.0 ttm105 -101.57 66.77 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.673 ' CD2' ' HB3' ' A' ' 113' ' ' ALA . 2.2 pt? -169.7 112.71 0.49 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.84 42.97 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.26 147.89 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.881 ' HG2' ' HB3' ' A' ' 144' ' ' ALA . 17.1 mttp -83.73 156.92 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.584 HD23 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -116.81 131.17 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.584 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.99 162.77 36.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.556 HD13 HG23 ' A' ' 134' ' ' THR . 1.2 mm -133.85 122.93 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.864 HG21 HG23 ' A' ' 97' ' ' THR . 9.9 t -78.13 140.96 39.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.8 p -148.07 51.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 125' ' ' ARG . 1.6 p -145.65 -169.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.692 ' H ' HG22 ' A' ' 124' ' ' VAL . 7.4 ptp180 41.45 -161.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.74 174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -101.98 -35.76 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.57 50.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.63 -45.97 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.57 ' HA ' HG23 ' A' ' 122' ' ' THR . 4.3 mt -45.16 -32.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' GLY . 13.1 t -102.9 -24.69 13.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' THR . . . -35.66 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.4 49.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.556 HG23 HD13 ' A' ' 121' ' ' ILE . 47.2 m -115.9 -49.98 2.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -39.41 20.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -88.21 42.84 3.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.97 81.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' GLU . 0.5 OUTLIER -43.5 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.969 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 140' ' ' VAL . 0.6 OUTLIER 37.93 84.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.794 HG23 ' N ' ' A' ' 141' ' ' ASN . 1.1 m 38.23 -157.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . 0.794 ' N ' HG23 ' A' ' 140' ' ' VAL . 4.4 p-10 -104.11 101.17 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.32 144.7 32.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.108 . . . . 0.0 110.961 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -102.18 -37.33 8.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.624 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.881 ' HB3' ' HG2' ' A' ' 118' ' ' LYS . . . -143.51 122.66 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.445 HD22 ' HB2' ' A' ' 119' ' ' LEU . 2.1 mm? -111.48 79.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.495 ' CD1' ' HB1' ' A' ' 144' ' ' ALA . 3.4 mp -115.6 162.5 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 146' ' ' ILE . 0.2 OUTLIER -120.14 170.03 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -173.9 154.01 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 151' ' ' ARG . 11.8 t -115.7 -0.14 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.502 ' HB2' HD12 ' A' ' 23' ' ' LEU . . . 64.77 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.2 OUTLIER -39.95 -50.6 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 11.1 m -83.13 -60.88 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.63 39.84 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 154' ' ' GLU . 4.7 pt-20 -81.99 67.59 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.03 59.77 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' LEU . 54.0 t -116.16 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.59 58.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.401 ' H ' HG12 ' A' ' 158' ' ' VAL . 2.3 p -58.51 -24.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 156' ' ' VAL . 0.7 OUTLIER -91.43 -34.22 14.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.471 ' NH2' ' CE1' ' A' ' 51' ' ' HIS . 25.8 ttt180 -62.59 -26.49 68.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -74.67 -42.15 58.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -70.31 -11.57 61.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.524 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 91' ' ' LEU . 1.1 mp -91.02 8.25 36.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.05 -46.7 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -33.6 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 6.0 p -46.7 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.499 ' CE ' ' OD1' ' A' ' 88' ' ' ASP . 4.3 tpp -135.05 115.2 13.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' GLU . . . -113.41 -84.73 1.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.7 mt -41.39 120.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.467 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 55.9 t60 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 106.9 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -176.94 6.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.02 134.89 3.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttp -173.69 142.66 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CD ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -101.36 162.96 12.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.6 p -127.6 158.7 38.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.199 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.676 HG13 HG23 ' A' ' 90' ' ' VAL . 10.8 p -120.41 138.55 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -132.5 77.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.78 156.99 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.33 160.73 10.0 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 102' ' ' VAL . 15.6 ttt180 -42.37 135.2 2.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.05 6.47 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 51.86 36.56 18.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.44 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.34 53.24 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.544 1.153 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.584 ' O ' HD13 ' A' ' 24' ' ' LEU . 7.9 pttt -98.16 -33.87 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -43.84 80.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB3' ' HB1' ' A' ' 150' ' ' ALA . 14.5 m -57.46 -61.51 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 2.9 tm? -53.8 -40.54 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -41.91 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 26' ' ' ALA . 2.2 p-10 -49.72 -48.9 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.55 ' HB1' HG21 ' A' ' 156' ' ' VAL . . . -43.29 -49.79 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -89.23 68.54 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.07 -59.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.58 -44.85 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.679 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -45.99 114.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.2 mm-40 -38.39 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -79.46 -78.01 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' HB2' ' HB3' ' A' ' 30' ' ' ARG . . . 73.84 -175.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 tp -140.67 143.58 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.682 ' O ' HG22 ' A' ' 36' ' ' THR . 5.1 p -159.17 164.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.723 HG23 ' N ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 82.95 -168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.723 ' N ' HG23 ' A' ' 36' ' ' THR . 5.9 m-20 60.04 41.63 17.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 mm -124.92 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.15 111.51 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 41' ' ' THR . . . 106.75 6.34 35.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' GLY . 5.6 p 43.09 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.573 HG23 ' H ' ' A' ' 44' ' ' ASP . 4.9 t -113.83 179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.066 . . . . 0.0 110.459 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 42' ' ' THR . 0.0 OUTLIER -92.88 8.74 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.573 ' H ' HG23 ' A' ' 42' ' ' THR . 77.2 m-20 -127.92 5.92 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.665 HG13 HG23 ' A' ' 62' ' ' THR . 14.8 p 39.31 32.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 61' ' ' ASP . 4.1 tp -120.36 73.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -113.0 -3.24 14.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.07 29.65 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 t-80 55.96 -155.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.556 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.58 HD13 ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -167.53 108.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.58 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -57.53 141.57 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.684 HG21 ' HA ' ' A' ' 56' ' ' PRO . 2.1 pp -96.57 -42.62 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.583 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER 70.13 -62.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' HD12 ' A' ' 52' ' ' ILE . . . -90.58 -99.68 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.64 128.94 44.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.684 ' HA ' HG21 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.0 62.98 5.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -171.75 88.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.96 137.87 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.41 146.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 9.3 mm -130.14 -70.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.751 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER 65.14 103.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.665 HG23 HG13 ' A' ' 45' ' ' VAL . 2.9 t -86.68 116.05 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.46 -96.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 25.68 56.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tp -162.64 169.73 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -32.94 32.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 1.69 49.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -32.89 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -50.45 71.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -67.97 -24.42 65.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.81 -31.98 31.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.686 HG13 ' HB3' ' A' ' 61' ' ' ASP . 2.2 t -71.23 -31.28 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 81' ' ' TRP . 7.3 pt-20 -95.33 39.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 -46.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.5 tp -57.78 -29.06 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.39 11.24 59.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 9.5 mm 43.59 79.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 0.735 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -147.09 86.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 78' ' ' GLU . 0.6 OUTLIER 43.47 -166.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.09 54.49 1.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.425 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -176.38 69.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.065 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.19 151.5 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.88 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 tp -155.33 39.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 45.08 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.351 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.23 176.39 8.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.32 134.2 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.48 12.6 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER 175.19 135.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.763 HG21 ' OE1' ' A' ' 110' ' ' GLU . 4.0 p -125.9 147.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.74 102.43 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.491 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -66.19 -164.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.7 mmm -137.14 -76.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 95' ' ' ASP . 2.0 t 57.51 -175.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.71 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.3 t70 -118.33 -40.36 2.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.67 -54.11 0.77 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 t -127.91 32.32 4.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.566 0.803 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -128.8 142.95 50.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.7 t -134.1 137.78 44.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.86 -168.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.09 -23.38 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -95.52 -8.78 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.512 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.33 -52.13 4.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.1 Cg_endo -75.07 -20.11 17.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.33 2.64 43.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.96 -7.66 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -110.55 -12.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.563 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 4.4 m95 -63.47 -50.59 72.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -74.94 2.09 6.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.763 ' OE1' HG21 ' A' ' 90' ' ' VAL . 1.7 mm-40 -101.93 -51.86 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -37.76 -50.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.0 pt -75.59 83.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.38 161.28 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.44 -10.23 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 153.64 85.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.65 20.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -118.13 159.07 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -136.58 129.02 30.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 92' ' ' PHE . 1.7 mm? -115.08 119.69 38.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.26 37.72 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.47 99.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.5 m -71.86 155.07 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 123' ' ' VAL . 8.5 p -125.37 98.55 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 125' ' ' ARG . 8.8 p -151.46 169.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.478 ' H ' HG22 ' A' ' 124' ' ' VAL . 8.2 mtt85 54.67 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 125' ' ' ARG . 74.8 m-80 -39.37 144.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -76.71 -16.27 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.33 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -41.17 -55.47 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.815 ' CD1' HG21 ' A' ' 134' ' ' THR . 0.0 OUTLIER -84.22 86.27 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.629 HG22 ' N ' ' A' ' 132' ' ' GLY . 0.9 OUTLIER 174.63 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 131' ' ' THR . . . -53.66 -34.31 50.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -51.08 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.815 HG21 ' CD1' ' A' ' 130' ' ' ILE . 25.2 p -45.88 -53.74 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.7 -52.33 21.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.218 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -44.48 -47.98 8.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.2 ttt -58.2 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.67 64.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -70.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 142' ' ' GLY . 8.1 p -97.43 147.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.38 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -67.43 116.26 7.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -46.39 -54.71 8.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -147.08 163.26 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.89 119.27 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.7 pt -141.84 164.91 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -77.34 169.55 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.51 152.49 34.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 0.5 OUTLIER -128.57 -44.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 74.05 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -49.59 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 20.0 m -94.67 -43.52 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.97 -86.06 0.37 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.02 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.8 50.83 0.86 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.55 HG21 ' HB1' ' A' ' 26' ' ' ALA . 7.9 p -88.93 -8.08 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.34 -22.69 12.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.24 -65.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 4.1 pp -56.46 -26.51 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.495 ' HG3' HD12 ' A' ' 27' ' ' LEU . 5.4 ttt180 -68.58 -29.29 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -85.0 0.34 51.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.418 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 30.9 m80 -108.98 14.73 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.539 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -103.61 -43.51 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.375 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -63.07 -30.17 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -72.54 -43.2 63.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.36 79.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 61.3 mtp -40.83 121.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -89.56 146.68 19.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.06 104.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 20.4 t60 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.647 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -142.43 136.96 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -115.39 154.86 28.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.21 162.95 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 0.732 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -127.01 116.82 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 89' ' ' ARG . 51.5 t -100.9 139.83 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.736 HG13 HG22 ' A' ' 90' ' ' VAL . 2.4 p -97.25 123.78 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.593 HD12 ' OE2' ' A' ' 48' ' ' GLU . 79.7 mt -101.99 91.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.44 162.9 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.29 -99.68 0.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.37 156.66 1.21 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 0.717 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.538 1.809 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.79 78.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.28 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.5 53.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HE2' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -105.55 -54.34 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.0 p -76.02 -14.41 60.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -50.67 11.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.6 mt -53.69 -38.22 64.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' ' 48' ' ' GLU . 1.4 mp -39.78 -70.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -70.47 61.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -165.93 -46.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.66 HD21 ' HB2' ' A' ' 159' ' ' LEU . 2.2 mt -94.82 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.22 -61.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.63 35.57 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' NH1' ' NE2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -83.46 -23.2 32.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.02 -62.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.22 78.78 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.99 -175.91 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 1.051 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -136.65 132.06 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.93 106.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.7 p -86.13 109.91 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.434 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 87.16 4.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 tp -134.32 157.26 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -101.08 -48.64 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.63 93.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' ALA . 3.2 m -45.31 124.37 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -59.62 132.4 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.16 -29.16 60.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.363 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.79 -10.64 58.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 62' ' ' THR . 47.6 t 69.7 -58.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.451 HD11 ' HB ' ' A' ' 50' ' ' ILE . 5.5 tp -37.65 98.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.6 -41.12 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.593 ' OE2' HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -75.08 56.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.438 ' NE2' ' NH1' ' A' ' 30' ' ' ARG . 10.5 t60 41.72 -162.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.451 ' HB ' HD11 ' A' ' 46' ' ' LEU . 2.1 tp -176.19 67.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.06 144.95 52.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.552 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.71 85.95 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 -45.14 -49.62 11.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -37.57 -53.68 1.81 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.54 117.87 0.19 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.62 -48.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -101.1 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -126.17 145.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CG2' ' HD2' ' A' ' 9' ' ' LYS . 6.7 mt -102.55 160.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.593 ' HB3' HG21 ' A' ' 72' ' ' VAL . 29.6 m-20 -111.43 113.69 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.471 HG23 ' HB2' ' A' ' 9' ' ' LYS . 95.8 m -96.53 56.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.05 -168.82 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.69 55.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.31 148.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -47.4 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -58.56 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.32 -56.59 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.592 ' O ' HG12 ' A' ' 72' ' ' VAL . 25.1 t -40.81 -52.42 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.044 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.03 -50.74 53.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -47.42 -47.05 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.213 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 61' ' ' ASP . 9.7 p -72.66 -32.0 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.508 ' HG3' HD11 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -76.48 57.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.5 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.84 -10.32 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.56 24.42 9.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.1 mt 57.35 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.767 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -132.79 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.33 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -50.73 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -175.3 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -146.28 132.62 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -139.14 -69.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' C ' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -175.93 118.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.508 HD11 ' HG3' ' A' ' 73' ' ' GLU . 3.8 mp -136.82 94.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -177.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.03 141.63 45.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.578 ' O ' HD22 ' A' ' 115' ' ' LEU . . . -44.2 135.56 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.03 15.78 21.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.552 ' HB3' HG22 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -158.39 143.14 16.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.736 HG22 HG13 ' A' ' 11' ' ' VAL . 3.8 t -132.02 134.89 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD21 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -118.31 80.49 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.59 171.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.404 ' HA ' ' CG ' ' A' ' 120' ' ' PRO . 10.0 tpt -154.95 131.72 10.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.08 114.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -42.22 135.29 2.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.08 -23.75 2.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.2 p -73.7 -134.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.5 p -86.01 -154.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.6 p -117.54 -120.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.13 -179.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.64 -26.24 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.222 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 t -91.98 1.33 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.499 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -71.51 -52.84 8.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.05 -8.27 19.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.542 1.811 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.87 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.32 19.4 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -105.45 -28.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.479 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -65.78 -55.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 107.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.502 ' HA ' HD11 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.08 63.72 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.17 -61.65 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 140' ' ' VAL . 53.1 p90 -86.78 38.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 109' ' ' PRO . 8.6 pt -129.21 39.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.1 148.69 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -68.51 79.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -174.06 138.48 0.7 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.469 ' CG ' ' NH2' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.06 149.8 36.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -130.05 119.41 23.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.74 ' HB2' ' HB3' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -107.94 143.33 36.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.362 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.42 135.6 27.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.81 ' HB3' HD12 ' A' ' 148' ' ' LEU . 18.3 Cg_endo -74.98 158.07 42.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 122' ' ' THR . 85.6 mt -120.58 166.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.539 HG22 ' H ' ' A' ' 124' ' ' VAL . 98.2 m -69.74 142.11 53.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.435 ' O ' ' HB ' ' A' ' 124' ' ' VAL . 8.9 p -55.22 -16.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.539 ' H ' HG22 ' A' ' 122' ' ' THR . 1.9 t 68.4 134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 166.77 -29.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -132.64 151.92 51.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER 76.39 56.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' LYS . . . 38.4 33.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 127' ' ' LYS . 19.2 m-20 69.5 130.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLY . 2.9 tp -54.21 -18.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.509 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.3 m -35.72 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -67.13 -58.34 8.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -60.34 -62.66 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 135' ' ' LEU . 14.7 t -38.4 -51.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 131' ' ' THR . 9.0 mt -48.79 -49.66 37.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' GLU . . . -83.07 51.41 4.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.2 ttm -157.68 47.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.4 m -103.71 61.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -52.88 5.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.687 HG23 ' HB3' ' A' ' 111' ' ' PHE . 4.4 p -108.92 142.61 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -44.38 100.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -38.01 -57.34 1.68 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 116' ' ' PRO . 6.5 t-80 75.26 -58.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.578 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.74 ' HB3' ' HB2' ' A' ' 118' ' ' LYS . . . -136.14 133.83 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 144' ' ' ALA . 30.7 mt -132.97 90.78 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.38 124.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -54.07 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' A' ' 120' ' ' PRO . 7.5 mt -150.48 163.74 37.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 89.7 p -136.14 -45.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 83.77 -58.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -43.22 -54.72 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 75.6 p -127.62 26.78 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' A' ' 156' ' ' VAL . . . 39.71 85.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' ' 149' ' ' SER . 18.7 tp10 -48.47 -52.7 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 0.735 . . . . 0.0 110.227 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -148.58 47.91 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.581 HG13 ' CA ' ' A' ' 153' ' ' GLY . 34.5 m -54.7 -44.21 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.431 ' OD1' HG23 ' A' ' 158' ' ' VAL . 0.5 OUTLIER -45.82 -55.15 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.431 HG23 ' OD1' ' A' ' 157' ' ' ASP . 53.5 t -41.76 -40.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.66 ' HB2' HD21 ' A' ' 27' ' ' LEU . 46.1 mt -68.31 -50.26 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -51.49 -45.09 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.18 -56.29 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -58.14 -25.47 61.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.577 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.72 43.44 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.47 -48.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -55.03 -46.16 75.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 167' ' ' MET . 89.9 p -59.42 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.401 ' N ' ' OG ' ' A' ' 166' ' ' SER . 10.0 mmt 48.74 -174.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.1 108.03 0.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.09 120.59 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER 82.0 144.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.33 -174.84 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.61 169.96 12.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.484 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER 179.46 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' N ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER 75.65 106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 163' ' ' LEU . 78.6 t -103.0 144.58 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.78 126.03 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.491 HG22 ' HG ' ' A' ' 91' ' ' LEU . 5.8 pt -99.56 94.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.9 124.65 42.42 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.92 156.29 22.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 154.89 83.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.06 145.83 31.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.3 t30 81.81 29.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 95' ' ' ASP . . . -117.12 -40.92 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.8 -93.78 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.405 1.066 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp 52.13 -94.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.3 m -39.33 -58.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -53.11 -44.02 67.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.561 HD13 ' SD ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -61.68 -65.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.614 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.1 tm? -42.61 -52.1 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -43.22 -49.39 6.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.52 -53.54 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -48.9 -66.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.18 -57.35 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.65 47.22 6.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -92.55 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -40.63 -54.97 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -114.66 -68.71 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 77.7 110.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.2 mt -78.95 147.34 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.61 128.18 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -124.78 136.73 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -128.98 81.46 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' ILE . 3.7 tp -111.47 135.52 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.05 63.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.58 124.77 1.61 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -75.25 -7.45 53.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m 59.96 116.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.81 -41.37 95.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -77.48 -1.93 32.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 46' ' ' LEU . 2.7 t 65.69 -71.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.618 HD23 ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -39.34 118.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -150.93 30.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' H ' HD13 ' A' ' 46' ' ' LEU . 1.3 pm0 -137.64 56.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 54.24 171.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.553 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -120.15 96.8 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -54.14 107.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -159.24 124.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -104.1 -30.79 10.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.41 -69.08 0.7 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.85 164.03 35.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.29 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.07 102.19 11.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.51 92.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.41 146.24 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' ASP . 1.9 pt -134.44 -49.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' CB ' HG13 ' A' ' 72' ' ' VAL . 12.4 m-20 60.77 123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.618 ' H ' HD23 ' A' ' 46' ' ' LEU . 2.7 t -84.02 110.65 18.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.891 ' HB3' ' OE1' ' A' ' 86' ' ' GLN . . . -62.36 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.66 -134.41 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 65' ' ' LEU . 1.1 pt? -64.28 -170.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 0.805 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -41.16 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.66 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.5 tp10 -87.98 175.89 7.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.897 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 81.15 -55.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -54.39 -48.66 71.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -51.01 69.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -59.23 -36.29 75.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 68' ' ' ALA . 40.8 t -56.07 -37.0 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.66 -35.39 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.57 -69.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -44.83 -38.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.44 -172.64 38.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 77' ' ' ILE . 32.0 mt -112.27 50.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.54 141.32 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -43.96 157.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.02 61.64 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 66.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -154.47 138.51 16.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -48.13 174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.666 ' CD1' HG11 ' A' ' 72' ' ' VAL . 5.2 tt -155.16 -49.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 63.24 136.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.891 ' OE1' ' HB3' ' A' ' 63' ' ' ALA . 5.9 pm0 -171.97 -157.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.45 75.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.05 -35.29 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 166' ' ' SER . 1.5 mmp_? -141.64 151.27 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t -140.84 112.55 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.513 HD22 HD21 ' A' ' 163' ' ' LEU . 0.6 OUTLIER -101.85 92.83 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' OE2' ' A' ' 106' ' ' GLU . 6.4 t80 -68.92 133.68 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.561 ' SD ' HD13 ' A' ' 23' ' ' LEU . 86.0 mmm -96.2 93.52 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' ASP . 61.1 t -67.66 -41.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.486 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 1.6 t70 60.97 121.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.25 -162.68 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.426 ' HB ' HG21 ' A' ' 122' ' ' THR . 4.8 t -111.19 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 m -79.67 151.18 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -128.34 143.98 51.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.427 ' O ' ' CD ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -161.1 -172.75 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.99 26.7 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' ' CD ' ' A' ' 106' ' ' GLU . 30.4 m -115.05 -30.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.625 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.39 -45.63 5.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -71.06 64.02 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.442 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 7.4 pt-20 166.43 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 104' ' ' PRO . 1.1 tt -77.18 -13.0 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.586 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -67.72 -62.33 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.14 54.39 3.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -132.54 -55.7 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.466 ' HB3' HG11 ' A' ' 140' ' ' VAL . 41.9 p90 -87.2 40.66 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.8 pt -118.37 9.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.15 178.63 6.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.89 61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 116' ' ' PRO . 2.1 pp -142.12 141.79 22.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.625 ' O ' HD12 ' A' ' 115' ' ' LEU . 18.5 Cg_endo -74.99 163.84 34.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.22 138.99 28.43 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.62 137.78 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.551 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -123.34 133.46 24.57 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.42 42.8 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.766 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.3 mt -104.37 142.01 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 130' ' ' ILE . 1.1 m -94.67 110.05 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 123' ' ' VAL . 7.1 p -125.68 67.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.52 118.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 60.28 146.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 63.73 167.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.72 -48.73 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.92 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.28 -51.99 55.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 122' ' ' THR . 41.1 mm -44.1 -79.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.0 p -39.28 -44.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -50.68 -63.33 4.54 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -50.63 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 m -39.18 -64.24 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.3 mt -96.79 27.77 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.35 13.75 11.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -149.63 40.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.6 t -71.29 59.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -90.52 120.5 31.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 111' ' ' PHE . 81.5 t 63.11 122.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -52.84 97.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -73.13 128.95 12.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.16 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.509 ' O ' ' HB2' ' A' ' 144' ' ' ALA . 5.2 t-160 -41.85 -33.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 0.775 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 143' ' ' HIS . . . 175.4 177.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.6 mp -142.78 125.27 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.83 121.7 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 156.36 21.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.509 HD11 HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -169.41 -169.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 153' ' ' GLY . 31.4 t -157.29 99.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.04 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -43.25 -34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -61.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.521 HG23 ' HG2' ' A' ' 154' ' ' GLU . 1.4 t -108.22 15.28 24.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 42.58 55.28 4.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.521 ' HG2' HG23 ' A' ' 152' ' ' THR . 4.9 mm-40 -50.6 -96.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.57 85.82 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 76.2 t -107.38 -56.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.412 0.713 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.5 -50.95 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 37.6 t -49.41 -54.27 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -48.73 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.772 ' HA ' HD12 ' A' ' 163' ' ' LEU . 62.4 ttt180 -48.12 -46.76 34.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -58.29 -40.54 82.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -18.73 65.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 160' ' ' ARG . 11.4 mt -89.98 -36.15 15.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -99.72 45.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -138.87 -48.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.445 ' HB2' ' CG ' ' A' ' 89' ' ' ARG . 41.6 m -87.43 10.68 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -70.73 176.07 4.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -125.69 140.04 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.92 168.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.155 . . . . 0.0 109.576 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -140.35 179.5 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -150.65 171.61 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA2' ' CG ' ' A' ' 167' ' ' MET . . . 149.44 146.92 4.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.49 -176.68 5.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 0.815 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.692 ' HZ2' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -123.44 121.17 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 163' ' ' LEU . 27.5 m -121.98 127.76 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p -97.99 147.07 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.72 86.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.05 125.21 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.5 93.71 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.18 118.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.95 127.84 11.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.1 t30 81.05 87.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.691 ' HB3' ' CE ' ' A' ' 93' ' ' MET . . . -169.11 31.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.88 31.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.584 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -100.49 -29.64 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.335 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.86 -52.35 30.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.995 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -46.0 -26.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 148' ' ' LEU . 43.7 mt -72.86 -44.17 61.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.0 mp -50.4 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -59.36 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.18 -47.77 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.42 54.55 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . . . -172.19 113.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.4 58.38 2.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -120.14 124.49 45.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -62.39 102.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 61.82 82.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.09 149.75 46.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 pt -85.11 128.9 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.25 141.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -119.26 158.82 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -145.95 86.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 tp -116.99 150.18 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 0.0 109.382 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.9 -42.4 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.94 101.68 0.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.409 1.068 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -39.34 158.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.4 p -100.63 128.04 46.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -59.42 -36.77 76.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' LEU . 2.8 p30 -75.2 -11.58 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 46' ' ' LEU . 65.8 t 69.29 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 60' ' ' ILE . 35.5 tp -34.97 100.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.0 ttm-85 -131.89 11.12 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 1.5 pp20? -131.79 39.49 3.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.661 ' CE1' ' HB2' ' A' ' 28' ' ' ALA . 28.0 p80 40.06 -159.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.1 mm -146.55 147.53 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -107.08 123.63 48.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.8 mt -144.87 122.66 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.173 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.09 -59.55 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.23 147.62 60.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -64.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.33 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -105.59 140.31 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.59 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 59' ' ' ILE . 67.3 mt -146.71 67.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.71 ' O ' HD22 ' A' ' 46' ' ' LEU . 52.8 mt -135.61 139.74 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.492 ' CG ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -138.02 120.51 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 62' ' ' THR . 8.4 t -78.85 84.64 4.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -68.76 -157.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 -61.94 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ALA . 4.1 tp -98.61 149.03 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -40.71 -45.39 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.58 -44.99 89.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . -61.49 -54.63 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.51 -42.71 23.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -64.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -52.71 -44.86 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.809 HG21 ' HB2' ' A' ' 63' ' ' ALA . 2.6 t -46.34 -77.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.616 ' N ' HG12 ' A' ' 72' ' ' VAL . 13.8 pt-20 -50.85 -40.05 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -54.83 29.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 71' ' ' GLU . 2.3 pt -66.72 -20.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -3.71 87.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.6 mt 68.59 70.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 73' ' ' GLU . 2.8 pt-20 -170.07 144.23 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.13 159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.64 -18.61 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -42.01 79.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 107.968 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -45.07 154.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -111.96 169.61 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 73' ' ' GLU . 3.2 mp -132.01 123.39 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.78 161.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.91 151.44 19.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.737 ' O ' HD11 ' A' ' 115' ' ' LEU . . . -41.32 143.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -93.59 -43.29 8.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 89' ' ' ARG . 2.0 ptp180 -168.74 158.34 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.445 HG21 ' OE2' ' A' ' 110' ' ' GLU . 53.9 t -115.99 158.29 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.85 HD13 HD21 ' A' ' 159' ' ' LEU . 0.8 OUTLIER -149.81 52.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.951 ' CE2' HD23 ' A' ' 119' ' ' LEU . 37.9 p90 -61.38 108.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.691 ' CE ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -77.67 166.87 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.2 m -133.37 -176.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.406 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 13.8 t0 -119.93 84.39 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.197 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.601 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 43.46 -150.83 0.51 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.666 ' CG2' HD13 ' A' ' 130' ' ' ILE . 60.5 p -75.05 59.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 110.372 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 96.4 m -111.56 104.43 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.2 t -97.23 141.18 30.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.461 ' HB3' HG22 ' A' ' 102' ' ' VAL . 28.3 m-20 -161.2 172.47 16.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -13.89 56.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 100' ' ' ASP . 16.4 m -92.46 -0.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.5 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -74.6 -52.93 3.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.502 ' HA ' ' CG2' ' A' ' 107' ' ' ILE . 18.4 Cg_endo -75.0 -33.9 4.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . -39.96 -32.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 104' ' ' PRO . 20.3 mm-40 -117.03 53.06 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.502 ' CG2' ' HA ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -152.36 -46.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.466 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -42.86 -56.93 5.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.1 Cg_endo -75.03 57.09 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.445 ' OE2' HG21 ' A' ' 90' ' ' VAL . 5.9 tp10 -160.55 -46.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.3 t80 -48.69 -39.07 23.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.676 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -97.09 99.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 163.19 155.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.771 ' C ' HD22 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -85.83 50.77 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 114' ' ' ARG . 3.8 mm? -126.27 118.52 23.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.421 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 114.17 3.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.07 153.17 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -77.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.951 HD23 ' CE2' ' A' ' 92' ' ' PHE . 2.2 tm? 67.11 94.91 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 165.99 30.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 121' ' ' ILE . 2.4 pp -120.96 148.5 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 130' ' ' ILE . 8.7 t -101.63 161.64 13.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.838 ' HA ' HG21 ' A' ' 130' ' ' ILE . 7.7 p -168.62 72.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 125' ' ' ARG . 12.9 p -174.39 166.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 124' ' ' VAL . 1.9 tmt_? 82.48 -51.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.2 OUTLIER -122.0 -47.29 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 126' ' ' ASN . 10.4 mttp 68.06 -67.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -50.73 -58.19 6.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -42.28 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.838 HG21 ' HA ' ' A' ' 123' ' ' VAL . 25.8 mm -45.9 -56.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.8 m -42.05 -47.2 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.04 -58.55 11.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -46.69 86.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -41.47 -60.92 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.6 mt -51.86 120.92 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 52.34 63.04 5.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.1 mmt -40.11 -43.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -175.08 -77.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -163.85 -167.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 70.2 153.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -96.7 81.0 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -51.73 137.97 30.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -58.77 -57.32 13.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 0.73 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -143.46 151.2 40.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.5 mt -110.81 89.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 147' ' ' ARG . 3.3 mm -120.93 163.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 146' ' ' ILE . 5.8 ptt180 -108.88 165.5 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 23' ' ' LEU . 2.0 mt -135.53 172.09 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.95 43.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 62.27 -99.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.681 ' O ' HG23 ' A' ' 152' ' ' THR . 0.1 OUTLIER -114.43 99.15 7.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 151' ' ' ARG . 1.8 p -159.81 -45.45 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 105.23 20.62 9.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.44 -68.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.25 -28.88 8.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 13.0 t -49.9 -25.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 5.4 m -77.96 -39.99 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.85 HD21 HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -42.87 -48.93 5.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.26 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -46.34 -60.96 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -58.31 -48.89 79.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 163' ' ' LEU . 0.7 OUTLIER -46.83 -43.15 18.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 166' ' ' SER . 0.6 OUTLIER -72.79 -47.11 49.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 60.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 167' ' ' MET . 5.2 p -160.17 -41.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 166' ' ' SER . 0.0 OUTLIER -30.78 129.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -91.02 148.59 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 29.5 mm -46.54 150.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 27.3 t60 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.11 145.96 46.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.76 168.7 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 107.46 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttp -132.41 146.54 52.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.812 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.644 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -114.53 122.46 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 91' ' ' LEU . 7.7 p -95.33 158.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.7 t -126.88 135.52 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.46 HG22 ' HB2' ' A' ' 20' ' ' LYS . 4.7 mp -137.46 97.65 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.21 162.66 31.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.53 99.28 0.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.474 1.108 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 61.49 157.34 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 0.789 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -99.43 104.57 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.09 -46.83 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.2 44.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HB2' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -110.51 -26.3 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.74 -55.48 5.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.113 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.8 m -61.94 -45.98 91.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.937 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 148' ' ' LEU . 0.2 OUTLIER -49.82 -61.28 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.681 HD21 ' C ' ' A' ' 48' ' ' GLU . 17.3 tp -39.4 -43.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ALA . 27.4 m-20 -67.41 -49.7 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.68 ' HB3' HD13 ' A' ' 27' ' ' LEU . . . -39.45 -57.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -99.07 70.24 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.206 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -149.16 135.78 19.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.41 52.3 4.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.34 130.72 41.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.15 -58.8 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.75 99.87 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.58 163.49 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -151.65 144.72 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -108.05 163.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -150.24 146.19 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -76.87 -51.9 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 tp 40.3 81.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.53 -43.09 50.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 95.6 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 m -42.18 122.54 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 0.711 . . . . 0.0 110.421 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.748 HG23 ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -75.32 142.59 43.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -69.26 -43.54 73.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.5 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -69.5 -10.4 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.762 ' O ' HG13 ' A' ' 45' ' ' VAL . 1.6 p 32.99 45.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 46' ' ' LEU . 1.3 tp -124.89 36.92 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.7 37.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.681 ' C ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -118.5 37.74 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.2 m80 47.44 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.631 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.791 HD13 HG21 ' A' ' 60' ' ' ILE . 3.9 tp -167.82 150.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -153.66 151.51 29.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.608 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 58' ' ' HIS . 2.8 tt -157.33 108.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.78 -40.73 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.17 -90.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -115.82 129.46 25.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.909 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.38 4.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.566 1.824 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.95 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.715 ' HB2' HG21 ' A' ' 52' ' ' ILE . 1.5 t60 -118.56 148.21 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.9 tt -116.89 109.36 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.791 HG21 HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -97.69 169.01 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.86 ' HB2' HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -148.18 95.15 2.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 9' ' ' LYS . 32.3 p -84.06 63.48 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.23 -171.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -171.91 -54.19 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.445 HD23 ' OE1' ' A' ' 67' ' ' GLU . 5.9 tp -99.04 158.66 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.224 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -43.2 -52.66 5.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE1' HD23 ' A' ' 65' ' ' LEU . 10.7 pt-20 -53.03 -52.19 59.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.6 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 t -52.13 -40.04 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.031 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.84 25.38 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -105.84 -54.35 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.86 HG11 ' HB2' ' A' ' 61' ' ' ASP . 4.0 m -56.35 -44.09 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.52 -36.52 23.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -57.53 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.6 mt -49.54 -44.33 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -148.33 0.29 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.617 HD13 ' N ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -136.2 45.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 0.728 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.78 178.44 5.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -82.1 134.99 35.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.34 62.75 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.412 ' CG ' ' N ' ' A' ' 82' ' ' GLN . 2.7 t-105 -114.14 -71.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.985 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 81' ' ' TRP . 0.0 OUTLIER -177.36 127.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.65 65.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.847 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -172.14 126.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.847 ' N ' HD13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -74.26 -96.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -177.34 168.68 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.58 152.8 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.6 -52.87 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 118' ' ' LYS . 2.5 mmm180 -121.78 134.61 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.41 104.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.503 HD12 HG21 ' A' ' 10' ' ' VAL . 4.2 mt -78.85 108.19 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.817 ' HE1' HG22 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -82.15 161.55 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.36 117.37 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -134.39 128.47 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.54 170.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.438 ' HA2' ' CB ' ' A' ' 122' ' ' THR . . . -42.02 -94.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 97' ' ' THR . 15.0 t -121.89 50.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 m -113.07 115.93 29.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -120.23 73.73 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 -171.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.89 179.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' ASP . 14.0 t 71.52 -58.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.5 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -39.14 -52.31 4.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -74.98 -38.65 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 59.57 3.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.9 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.817 HG22 ' HE1' ' A' ' 92' ' ' PHE . 1.1 pt -84.69 -22.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -50.81 -59.76 6.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.06 55.31 3.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.71 -48.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -43.53 -38.88 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.666 HD13 ' C ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -93.52 90.25 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 115' ' ' LEU . . . -167.33 162.21 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.579 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -107.92 52.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -156.28 147.04 16.26 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.42 ' HB2' ' CG ' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.04 149.06 36.0 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB1' ' CD2' ' A' ' 92' ' ' PHE . . . -130.67 98.37 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -58.15 109.68 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.216 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -94.73 113.28 60.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.406 ' N ' HD13 ' A' ' 119' ' ' LEU . 18.5 Cg_endo -74.96 156.61 43.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.407 HG22 HG21 ' A' ' 134' ' ' THR . 11.6 pt -134.0 173.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.438 ' CB ' ' HA2' ' A' ' 96' ' ' GLY . 96.4 m -139.66 112.38 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 123' ' ' VAL . 7.6 m -106.7 39.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.572 HG22 ' H ' ' A' ' 125' ' ' ARG . 7.1 p -54.02 172.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.572 ' H ' HG22 ' A' ' 124' ' ' VAL . 12.9 ttt180 -71.1 91.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.38 -60.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.452 ' CA ' HG12 ' A' ' 130' ' ' ILE . 2.0 mttm 77.02 -57.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.64 -57.28 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.508 ' CG ' HG21 ' A' ' 97' ' ' THR . 0.4 OUTLIER -49.53 -63.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.452 HG12 ' CA ' ' A' ' 127' ' ' LYS . 29.1 pt -42.39 -30.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 m 46.97 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.435 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 47.14 23.17 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.405 1.066 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.598 ' O ' HG22 ' A' ' 134' ' ' THR . 0.7 OUTLIER 50.4 84.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.427 0.722 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 133' ' ' GLU . 10.2 t 46.9 42.86 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.22 92.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.21 -59.24 9.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.71 89.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -151.52 32.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -63.52 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 142' ' ' GLY . 11.6 p -66.92 139.74 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.597 1.186 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -67.32 73.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -40.81 156.34 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.691 ' O ' ' HB3' ' A' ' 144' ' ' ALA . 8.3 t-80 -93.49 61.6 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 143' ' ' HIS . . . 84.45 166.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.0 mt -134.81 120.54 19.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 159' ' ' LEU . 1.5 pp -131.54 135.52 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.429 ' H ' ' NE ' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -70.51 162.44 28.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.557 ' CD2' HD13 ' A' ' 23' ' ' LEU . 12.9 tp -161.96 155.05 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 87.5 p -152.25 123.26 7.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.929 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -40.32 -66.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -69.03 134.95 50.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.058 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 70.2 p 43.39 61.97 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 156' ' ' VAL . . . -44.54 113.28 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -54.31 12.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -109.29 54.15 0.56 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.432 1.083 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.651 HG21 ' HB1' ' A' ' 26' ' ' ALA . 2.3 t -92.66 -44.76 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -52.45 40.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 81.6 t -48.67 -30.27 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.224 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -69.32 -55.59 10.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 159' ' ' LEU . 0.1 OUTLIER -38.15 -46.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.613 1.196 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -83.39 76.99 9.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.63 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 163' ' ' LEU . 3.7 mm? -76.21 -16.69 59.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -87.51 -55.01 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.0 -39.99 9.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 86.4 p -95.07 59.18 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -114.49 172.22 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -100.16 120.25 6.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.429 1.08 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.74 103.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.555 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 mmt-85 -111.75 -56.23 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 70.94 124.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 87.25 0.14 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -146.94 -173.62 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.598 ' HE3' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -169.06 -169.43 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.685 HG11 HD21 ' A' ' 163' ' ' LEU . 24.4 m -123.76 -166.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.703 HG13 HG22 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -150.4 81.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.92 133.83 28.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.78 138.77 20.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.65 177.75 38.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -37.94 130.05 0.95 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.98 81.73 2.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.0 m-20 160.97 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.38 84.68 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' SER . . . 62.04 -100.37 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.71 -78.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -68.42 -53.63 22.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -53.42 -43.09 67.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.631 ' HA ' ' HB2' ' A' ' 150' ' ' ALA . 5.8 tp -59.16 -67.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD22 ' HA ' ' A' ' 48' ' ' GLU . 2.8 tp -40.85 -55.3 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -40.71 -64.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.13 -55.33 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -69.26 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 -51.86 6.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.28 -115.48 5.23 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 59.46 155.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.03 -55.46 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.59 116.29 21.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.38 139.78 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 tt -124.15 157.76 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.95 139.14 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -132.09 161.94 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' ILE . 5.1 t0 -117.72 -57.3 2.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.673 HD11 ' HG3' ' A' ' 47' ' ' ARG . 5.2 pt 37.55 86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.62 73.77 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.9 25.19 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 41' ' ' THR . 3.3 m 38.55 78.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.62 HG23 ' N ' ' A' ' 45' ' ' VAL . 15.3 t -46.03 125.69 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.465 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -55.59 -42.05 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -66.79 -10.32 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.62 ' N ' HG23 ' A' ' 42' ' ' THR . 8.5 p 43.72 29.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.007 HD22 ' HA ' ' A' ' 61' ' ' ASP . 14.4 tp -110.97 75.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.673 ' HG3' HD11 ' A' ' 38' ' ' ILE . 35.6 ttp85 -105.64 -7.44 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.709 ' HA ' HD22 ' A' ' 24' ' ' LEU . 16.1 mp0 -91.32 25.35 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 47.08 -172.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 tp -166.12 105.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.621 ' HE1' HH21 ' A' ' 160' ' ' ARG . 0.1 OUTLIER -93.75 150.68 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.597 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.0 120.41 49.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -85.28 -53.22 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.062 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.13 133.01 24.35 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.501 0.766 . . . . 0.0 111.036 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.2 45.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 162.78 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.52 -89.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.598 HG22 ' HE3' ' A' ' 9' ' ' LYS . 10.2 mt 71.55 124.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 1.007 ' HA ' HD22 ' A' ' 46' ' ' LEU . 10.0 m-20 -122.51 155.91 35.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 17.0 m -65.01 -43.07 93.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.689 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . 68.59 -71.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' THR . . . 72.72 -99.46 0.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 175.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -49.01 12.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 110.339 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.52 -44.74 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.83 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -47.38 -58.95 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.33 -38.54 3.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.01 -41.12 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 63' ' ' ALA . 13.9 t -49.41 -50.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.52 -45.7 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -51.74 -56.11 15.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.6 mt -60.12 -32.85 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.41 -7.78 87.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.2 mt 49.12 74.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.355 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -162.69 167.2 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -41.18 111.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.42 55.87 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.52 -70.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.06 123.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.88 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.2 tp -161.58 135.66 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.29 141.64 49.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -158.27 -173.54 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 65.5 96.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -139.47 -47.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.645 ' NH1' ' CE1' ' A' ' 143' ' ' HIS . 12.3 tpp180 -133.39 104.86 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.703 HG22 HG13 ' A' ' 11' ' ' VAL . 21.3 t -92.44 106.32 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 91' ' ' LEU . 1.4 pp -106.38 107.41 18.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 107' ' ' ILE . 78.9 m-85 -77.77 -172.04 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -150.27 137.11 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.87 108.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.99 109.43 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 52.17 -175.94 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.3 p -71.48 58.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.2 m -92.75 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 t -106.57 130.3 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -151.97 -168.53 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.8 11.81 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.07 -23.07 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.579 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.98 -48.29 2.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.93 -9.13 20.72 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.562 1.822 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.84 53.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -171.95 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.623 HG22 ' CD1' ' A' ' 92' ' ' PHE . 4.9 pt -82.49 -33.87 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.519 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.1 OUTLIER -56.78 -59.38 12.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -74.94 56.78 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.28 -49.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.564 ' CD1' HG21 ' A' ' 140' ' ' VAL . 0.9 OUTLIER -38.29 -38.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 112' ' ' ILE . 6.1 tp -81.33 77.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.58 143.31 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 71.65 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 pp -175.08 137.22 0.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.41 40.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.0 138.73 45.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.756 ' HE2' HD11 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -102.8 159.73 15.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.863 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -130.67 130.43 22.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.863 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.6 Cg_endo -74.92 163.62 35.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.514 HD11 ' CB ' ' A' ' 145' ' ' LEU . 23.6 mt -122.35 159.36 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.402 ' N ' ' CG2' ' A' ' 121' ' ' ILE . 0.7 OUTLIER -123.67 140.37 53.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.7 p -146.53 54.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 124' ' ' VAL . 12.3 m -79.56 85.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER 66.35 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' ARG . 24.9 m-80 -40.05 155.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -133.01 -58.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.43 -25.2 66.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.225 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -67.49 -66.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.898 HD12 ' N ' ' A' ' 131' ' ' THR . 2.5 pp -53.85 -47.84 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.898 ' N ' HD12 ' A' ' 130' ' ' ILE . 1.0 OUTLIER -39.48 -41.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -41.82 -84.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -49.87 75.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.262 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 136' ' ' GLY . 50.3 m -40.48 -31.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -49.34 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' SER . . . 34.52 71.91 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 136' ' ' GLY . 4.1 ttt -31.95 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.413 0.713 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -65.31 116.57 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 140' ' ' VAL . 12.6 tp10 -178.05 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.564 HG21 ' CD1' ' A' ' 111' ' ' PHE . 13.4 p -156.74 148.09 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.09 113.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -92.43 143.68 16.66 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.645 ' CE1' ' NH1' ' A' ' 89' ' ' ARG . 9.4 t-160 -61.95 -42.12 98.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.55 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 143' ' ' HIS . . . 175.0 137.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.514 ' CB ' HD11 ' A' ' 121' ' ' ILE . 2.7 mt -91.97 115.58 28.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 4.5 mm -125.79 144.26 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.17 155.65 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.6 pp -175.06 -170.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 151' ' ' ARG . 18.9 p -176.44 88.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 23' ' ' LEU . . . -40.31 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -168.77 -50.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.3 m -167.58 109.55 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 70.54 -104.42 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 60.67 -174.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -77.15 54.67 3.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 50.4 t -99.27 -41.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.224 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.02 -45.77 87.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 80.5 t -58.79 -31.42 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.756 HD11 ' HE2' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -71.04 -46.73 61.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.621 HH21 ' HE1' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -43.42 -49.38 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.23 -49.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -61.65 -34.02 74.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.685 HD21 HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -66.17 -28.39 68.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -71.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -37.84 -36.79 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.0 t -68.1 -57.76 5.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.03 110.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -90.75 146.04 18.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.3 pt -54.51 136.71 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 0.805 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 109.586 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -128.09 153.09 47.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.54 154.94 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.74 95.34 0.1 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -179.66 131.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' CG ' HG12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -87.26 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.381 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.703 HG11 HD21 ' A' ' 163' ' ' LEU . 2.4 p -170.43 104.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' C ' HG23 ' A' ' 12' ' ' ILE . 11.6 p -59.9 145.77 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.419 HG23 ' C ' ' A' ' 11' ' ' VAL . 1.3 pp -152.68 90.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.79 169.31 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.84 175.48 23.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -42.57 118.92 2.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 62.7 5.97 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -177.61 57.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.31 35.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.56 33.54 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -54.17 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.75 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -77.86 -38.21 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.99 -48.38 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.9 tp -60.9 -53.82 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -50.7 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -51.09 -48.91 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -84.97 59.74 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.585 HD11 HD12 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -174.58 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.8 -69.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.4 -56.89 0.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -40.74 105.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 0.743 . . . . 0.0 110.188 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -58.94 140.7 55.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.07 59.53 2.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.39 -178.25 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tt -123.86 128.86 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.9 m -90.84 114.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -88.05 145.43 25.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 110.425 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -145.66 84.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pt -125.45 175.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -110.83 -55.78 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.76 95.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' ALA . 16.0 p -49.34 157.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 0.719 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.3 p -106.03 130.68 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.409 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -58.24 -33.67 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -80.16 -15.4 57.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.578 HG13 HG23 ' A' ' 62' ' ' THR . 8.5 p 43.92 29.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD13 ' H ' ' A' ' 62' ' ' THR . 5.9 tp -107.52 57.19 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -96.64 24.76 5.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.08 12.45 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 57.34 -178.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 58' ' ' HIS . 3.8 tt -120.01 146.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 0.3 OUTLIER -118.16 96.85 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -122.7 118.03 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.07 -41.91 12.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 55' ' ' MET . 2.3 mpt? -127.5 145.12 53.39 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 0.74 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.54 91.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.416 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -170.96 126.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.98 108.83 22.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.483 ' O ' HD22 ' A' ' 46' ' ' LEU . 1.1 tt -101.6 -178.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.522 ' HB2' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -160.15 109.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 62' ' ' THR . 12.0 t -83.04 72.54 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.897 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -52.63 -87.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.3 -48.87 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.7 140.29 38.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -41.01 -57.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.43 1.081 . . . . 0.0 110.367 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.66 -49.86 56.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.98 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -44.83 -41.22 6.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -72.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.34 -30.32 3.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.897 HG21 ' HB2' ' A' ' 63' ' ' ALA . 0.9 OUTLIER -57.81 -50.86 76.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -69.36 -18.22 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 pt -75.65 -14.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -105.97 14.47 44.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 77' ' ' ILE . 14.9 mt 44.68 48.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.76 177.81 5.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 79' ' ' ARG . 21.1 mtm105 -98.71 152.22 19.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -72.67 102.5 3.33 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -149.16 -45.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER 81.16 94.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 85' ' ' GLU . 2.5 tp -87.71 -39.59 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 9.1 tt0 84.93 149.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 178.31 7.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.92 176.16 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -151.25 32.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.02 143.56 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.42 HG23 ' HG ' ' A' ' 115' ' ' LEU . 31.1 t -135.41 127.38 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 159' ' ' LEU . 1.1 tm? -114.22 87.49 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CZ ' ' HG2' ' A' ' 110' ' ' GLU . 1.0 OUTLIER -73.56 147.85 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.4 tpt -125.41 132.01 52.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.7 t -148.32 131.74 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -48.59 -52.65 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.394 1.059 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.59 -82.87 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -94.63 32.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.455 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -115.67 91.57 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.3 p -101.36 79.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.31 174.34 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.11 -0.12 56.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.395 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.7 t -103.98 -17.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.56 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -62.86 -48.89 84.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.97 -19.25 18.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.55 -17.08 63.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.8 35.02 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -120.74 -41.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.587 ' CD1' ' C ' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -50.54 -55.97 22.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.01 56.3 4.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.401 1.737 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.544 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 tp10 -149.56 -62.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.66 -19.65 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.704 HG22 ' O ' ' A' ' 112' ' ' ILE . 3.7 mt -87.66 74.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.436 ' HB1' ' CD2' ' A' ' 115' ' ' LEU . . . -176.43 -179.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -99.06 -37.32 9.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' ' HB1' ' A' ' 113' ' ' ALA . 1.7 pt? -58.41 144.65 77.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -74.93 177.72 8.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -143.35 133.3 24.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -100.54 -176.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.75 137.03 1.17 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.3 Cg_endo -74.99 -176.69 3.01 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.554 HD11 ' O ' ' A' ' 145' ' ' LEU . 75.2 mt -119.61 163.85 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 122' ' ' THR . 13.2 t -116.7 59.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.4 p -69.5 65.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.688 HG22 ' H ' ' A' ' 125' ' ' ARG . 3.9 p -107.18 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.688 ' H ' HG22 ' A' ' 124' ' ' VAL . 7.8 mtt180 -48.93 156.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.7 114.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -14.43 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.59 -47.1 82.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.01 79.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -40.38 -83.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.0 t -43.74 -46.72 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.51 58.64 2.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.4 -52.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 110.226 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.1 m -59.4 -33.19 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.08 -36.57 13.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.28 -71.44 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.83 91.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.5 p -132.44 41.44 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.25 -65.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.9 p -80.71 138.21 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.37 94.43 0.4 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -43.63 -34.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.626 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -167.59 -172.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.554 ' O ' HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -161.8 96.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 2.0 pt -108.52 151.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -101.13 140.34 35.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.548 ' N ' HD13 ' A' ' 148' ' ' LEU . 0.0 OUTLIER -158.36 -178.5 7.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.2 t -152.32 30.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 152' ' ' THR . . . 43.74 -147.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 66.55 -70.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 150' ' ' ALA . 9.5 t -175.12 138.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 61.49 -145.6 48.69 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 75.28 -69.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 0.795 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -157.8 45.69 0.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 17.1 m -106.84 9.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -107.34 -62.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.76 -38.23 43.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 91' ' ' LEU . 6.0 tt -59.07 -47.33 85.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -65.18 -27.78 68.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -71.9 -13.74 61.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -115.06 12.4 16.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.703 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -100.13 -46.22 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -56.36 8.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -40.97 -33.17 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 50.9 m -42.07 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.413 ' CB ' ' HG3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -144.03 160.99 39.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 169' ' ' ILE . . . -143.88 -84.74 0.07 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 12.0 pt -37.31 151.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 145.43 41.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -150.29 174.62 12.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.61 -177.99 29.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.527 ' HB3' ' CB ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -152.76 -166.47 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.073 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' CE ' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -141.71 87.97 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.81 HG21 HD21 ' A' ' 163' ' ' LEU . 10.0 p -88.9 156.54 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.653 ' CG1' HG22 ' A' ' 90' ' ' VAL . 9.3 p -155.67 130.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 mt -91.07 129.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.58 172.14 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 109.373 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.78 171.25 14.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -70.99 150.27 94.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 110.267 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 72.74 4.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 18' ' ' ALA . 12.9 t-20 173.5 -34.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . -38.71 -66.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.359 1.037 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.84 41.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -85.6 159.75 19.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.24 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t 79.16 -55.3 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -16.33 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.1 tt -77.42 -56.86 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.71 -27.44 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.94 -49.82 65.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.08 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -76.1 65.23 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.46 160.48 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.43 -48.62 6.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -43.32 122.5 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.794 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.22 -56.6 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -58.18 -73.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 69.7 148.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.38 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -118.47 145.53 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.511 ' N ' HD13 ' A' ' 34' ' ' ILE . 7.7 p -106.44 120.18 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.15 93.81 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.44 94.63 9.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.79 130.04 69.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.72 -28.05 40.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.44 91.98 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -38.83 133.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 45' ' ' VAL . 7.4 t -89.11 149.23 23.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -41.36 19.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.676 ' HA ' HG12 ' A' ' 72' ' ' VAL . 3.7 p30 -65.71 -11.98 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.74 HG11 ' O ' ' A' ' 63' ' ' ALA . 95.3 t 67.68 -63.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -38.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.6 ptt85 -129.24 7.04 5.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.09 35.47 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.491 ' O ' ' CG1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER 40.74 -159.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 49' ' ' HIS . 12.4 mt -156.7 126.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 3.8 p80 -83.24 101.26 11.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 0.0 109.594 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 tp -91.3 107.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.65 114.93 29.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 -44.05 1.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.6 ttt -154.43 112.96 2.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.69 4.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.12 55.64 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.506 ' CD2' HG13 ' A' ' 60' ' ' ILE . 59.3 t60 -143.96 151.01 39.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.3 130.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.506 HG13 ' CD2' ' A' ' 58' ' ' HIS . 7.2 mt -129.07 145.74 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.78 151.2 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.402 ' HB ' ' N ' ' A' ' 46' ' ' LEU . 44.5 m -102.85 -50.98 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.74 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 45.63 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.7 -41.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.7 -176.69 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -56.07 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.03 -56.86 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.55 -53.72 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.09 -39.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.87 -45.54 20.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -55.31 -52.08 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 44' ' ' ASP . 25.7 m -59.5 -33.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -12.15 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.18 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -49.19 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 pp -59.03 -33.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.22 106.02 3.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.155 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mm -44.63 99.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -170.19 -179.75 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.42 154.31 38.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.15 -66.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -75.28 68.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -112.32 158.79 19.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.4 142.95 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 84' ' ' ILE . 2.9 tp -149.54 116.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.443 ' HB2' ' CE ' ' A' ' 9' ' ' LYS . 8.9 mm-40 -55.6 179.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.9 -179.72 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.56 136.28 38.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 166' ' ' SER . 64.9 t0 -117.43 -64.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -105.64 103.91 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.653 HG22 ' CG1' ' A' ' 11' ' ' VAL . 3.5 t -95.82 100.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.45 HD23 ' CG ' ' A' ' 118' ' ' LYS . 1.9 mt -83.74 134.82 34.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.737 ' CZ ' HD13 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -106.43 159.02 16.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 tpt -137.81 133.91 34.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.9 t -137.98 127.13 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.4 t70 -70.78 116.65 11.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.757 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 37.62 -156.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 97' ' ' THR . 1.3 m -97.63 64.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.622 0.837 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.3 m -132.76 123.11 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 t -104.3 141.5 36.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -168.33 171.66 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.728 ' C ' HG23 ' A' ' 102' ' ' VAL . . . -48.78 166.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.728 HG23 ' C ' ' A' ' 101' ' ' ALA . 2.4 t 82.03 -54.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -46.66 -50.32 42.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.0 -31.77 5.93 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.388 1.731 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 102' ' ' VAL . . . -56.66 -27.67 59.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.387 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -114.6 59.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.737 HD13 ' CZ ' ' A' ' 92' ' ' PHE . 8.5 mm -143.24 -49.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.463 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.45 -56.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 108.064 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -75.03 55.02 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.485 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -159.67 -58.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -40.94 -49.56 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 30.6 pt -60.81 -178.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 112' ' ' ILE . . . 70.67 163.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -91.05 3.21 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.61 126.82 79.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 165.81 30.4 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.8 104.26 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.476 ' HE3' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -68.87 167.24 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -138.46 117.34 9.5 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.1 Cg_endo -75.06 143.05 28.39 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.496 HD11 HD22 ' A' ' 145' ' ' LEU . 45.9 mt -114.31 147.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.757 HG21 ' HA2' ' A' ' 96' ' ' GLY . 0.5 OUTLIER -107.02 134.8 49.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 123' ' ' VAL . 13.5 m -127.66 72.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.2 133.53 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.2 115.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.65 141.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -116.32 -5.7 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' THR . . . -90.56 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -43.78 -30.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 122' ' ' THR . 0.4 OUTLIER -78.93 -46.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 130' ' ' ILE . 2.8 m -55.94 -58.79 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.26 58.81 1.12 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 179.59 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 135' ' ' LEU . 9.5 t -66.69 -50.97 61.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.464 ' N ' HG23 ' A' ' 134' ' ' THR . 15.7 mt -47.27 -56.52 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -94.65 50.02 2.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.781 ' SD ' HD21 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -39.06 -52.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 111.017 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.16 -68.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -179.21 -61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.45 123.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.99 65.95 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -37.74 141.02 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -42.01 -58.45 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -142.82 -179.8 6.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.781 HD21 ' SD ' ' A' ' 137' ' ' MET . 3.5 mp -146.02 100.57 3.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 20.7 mm -109.05 134.92 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -80.89 133.82 35.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.1 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.9 t -158.01 32.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 151' ' ' ARG . . . 59.54 -141.66 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 150' ' ' ALA . 7.9 mtt180 -38.0 -60.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 18.8 m -72.67 57.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.49 111.89 1.03 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.79 25.02 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 169.76 48.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.83 -30.84 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.14 -50.6 46.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.23 -29.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.476 HD12 ' HE3' ' A' ' 118' ' ' LYS . 4.4 tt -77.25 -45.31 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.32 -18.05 65.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.93 -17.69 59.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -105.2 14.77 28.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.81 HD21 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -111.79 -36.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.36 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.78 39.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -62.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . 0.495 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 2.0 m -56.68 -19.94 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.042 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.527 ' CB ' ' HB3' ' A' ' 8' ' ' MET . 15.5 ptt? -48.99 138.04 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 152.15 50.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mt -92.65 97.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 50.5 t60 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.624 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -153.26 169.98 21.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -176.81 133.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.65 178.96 16.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -169.49 162.6 10.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 137.6 50.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.578 HG21 HD21 ' A' ' 163' ' ' LEU . 11.1 p -121.11 148.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.646 HG13 HG23 ' A' ' 90' ' ' VAL . 13.9 p -129.4 130.21 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -115.67 106.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.23 -172.99 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.08 148.8 8.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.41 150.8 2.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.14 5.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 4.3 t-20 176.25 100.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 175.2 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.39 42.71 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -29.12 62.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.808 ' HB2' HG21 ' A' ' 35' ' ' VAL . 2.1 p -82.38 -43.23 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -61.57 -31.46 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' LEU . 6.4 tt -67.51 -63.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.0 tm? -40.24 -65.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.181 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 79.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -177.96 -51.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.16 -59.82 4.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 -52.04 14.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 38.16 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -90.56 50.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.383 0.696 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 39.75 41.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.69 -56.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.85 131.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -157.6 119.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.808 HG21 ' HB2' ' A' ' 21' ' ' SER . 8.1 p -110.18 135.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -99.37 148.87 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.74 78.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.92 136.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -84.2 -44.95 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.585 1.178 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.25 96.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 41' ' ' THR . 2.9 t -57.81 116.08 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.458 HG23 ' HA ' ' A' ' 45' ' ' VAL . 6.0 t -68.06 132.8 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -37.93 89.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -70.74 -8.23 50.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.458 ' HA ' HG23 ' A' ' 42' ' ' THR . 7.1 p 40.29 36.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.897 HD22 ' HA ' ' A' ' 61' ' ' ASP . 11.7 tp -126.81 79.48 1.87 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.34 9.92 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.23 44.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 47.2 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.545 HD11 HD21 ' A' ' 46' ' ' LEU . 2.8 mp -143.5 97.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -47.0 147.47 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.9 pp -140.21 64.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.0 62.22 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.372 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.72 -69.34 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.5 ttt -130.31 121.19 19.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' HD13 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.94 -175.59 2.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp 51.15 55.55 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -144.35 147.3 33.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.75 154.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -112.94 -49.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.897 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.8 m-20 62.48 103.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.29 161.13 27.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -151.36 22.96 0.96 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 tp -170.41 156.12 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 0.782 . . . . 0.0 109.345 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -42.4 55.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -50.69 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.51 -61.05 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -51.19 -39.01 55.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.03 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.6 -37.37 87.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.542 HG13 ' HB3' ' A' ' 61' ' ' ASP . 2.9 t -56.75 -51.02 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.215 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -38.23 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -64.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -52.65 97.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.05 -143.71 14.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.93 -22.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.98 164.14 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -108.51 -69.6 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 79' ' ' ARG . . . 178.52 161.95 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 49.17 77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -178.34 140.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.485 ' HG3' HD12 ' A' ' 84' ' ' ILE . 8.5 pt-20 41.18 -157.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 83' ' ' GLU . 3.2 mt 65.74 124.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -123.45 -174.39 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -84.0 156.41 22.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.15 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -150.73 -48.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.515 ' HB3' HG23 ' A' ' 10' ' ' VAL . 1.2 tpt180 -107.64 153.08 23.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.646 HG23 HG13 ' A' ' 11' ' ' VAL . 9.9 p -158.7 123.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.726 ' HB2' ' HZ2' ' A' ' 118' ' ' LYS . 10.2 tt -132.13 110.56 10.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.808 ' CE2' HD13 ' A' ' 119' ' ' LEU . 7.6 p90 -110.21 77.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.37 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.407 HG11 HD11 ' A' ' 119' ' ' LEU . 35.1 m -129.51 -168.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 -171.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.58 -74.37 0.51 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.576 HG21 ' HD2' ' A' ' 127' ' ' LYS . 29.4 p -118.13 -41.0 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -38.8 132.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 m -156.46 82.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.19 -174.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.25 0.04 53.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.83 -10.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -71.97 -49.86 9.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.55 ' HA ' ' CG1' ' A' ' 107' ' ' ILE . 18.5 Cg_endo -74.93 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.7 0.09 57.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -115.39 -1.93 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.701 HG22 ' CE2' ' A' ' 92' ' ' PHE . 3.6 pt -117.08 -39.37 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.217 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.465 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -40.56 -55.95 4.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 53.31 3.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.39 1.732 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.571 ' OE2' HG11 ' A' ' 90' ' ' VAL . 7.0 tp10 -134.22 -45.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.39 41.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.5 mt -119.55 -46.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.714 ' HB3' HD11 ' A' ' 115' ' ' LEU . . . -76.84 -168.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.489 ' C ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -119.65 81.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -167.7 157.3 9.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.497 ' HB3' ' CD2' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.0 148.5 35.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.626 ' HB1' ' HE1' ' A' ' 92' ' ' PHE . . . -125.52 132.25 52.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.726 ' HZ2' ' HB2' ' A' ' 91' ' ' LEU . 4.2 mtmp? -97.36 135.97 38.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.808 HD13 ' CE2' ' A' ' 92' ' ' PHE . 20.2 tp -144.2 102.59 4.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.435 HG21 HG23 ' A' ' 134' ' ' THR . 1.4 pt -130.73 -173.26 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.78 HG21 HG13 ' A' ' 130' ' ' ILE . 10.2 t -99.05 144.22 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.541 ' O ' ' C ' ' A' ' 124' ' ' VAL . 8.3 p -76.51 66.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.774 HG22 ' N ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER 29.1 -97.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.774 ' N ' HG22 ' A' ' 124' ' ' VAL . 20.6 ttt180 74.62 -61.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -152.62 -165.98 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.576 ' HD2' HG21 ' A' ' 97' ' ' THR . 2.0 mmtt 68.7 49.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 42.95 31.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.589 ' HA ' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER 63.81 116.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.78 HG13 HG21 ' A' ' 122' ' ' THR . 21.2 mm -64.81 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 130' ' ' ILE . 6.3 t -37.65 -38.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.421 1.075 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.28 -45.99 85.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.435 HG23 HG21 ' A' ' 121' ' ' ILE . 0.8 OUTLIER -49.32 -45.09 44.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.44 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.56 -41.07 96.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.7 -46.39 89.98 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.4 ttp -69.15 73.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.1 t -130.65 62.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -40.77 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.03 137.88 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -49.83 101.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -48.57 142.69 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.497 ' CD2' ' HB3' ' A' ' 116' ' ' PRO . 52.5 t-80 -112.63 -15.55 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.617 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.21 -73.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 119' ' ' LEU . 61.4 mt 62.88 72.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.71 127.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 121' ' ' ILE . 0.8 OUTLIER -71.87 147.02 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.626 HD21 HD11 ' A' ' 159' ' ' LEU . 1.9 pp -176.18 163.27 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 150' ' ' ALA . 52.4 p -141.64 130.24 22.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 152' ' ' THR . . . -45.41 -94.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.4 -89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 152' ' ' THR . 1.0 OUTLIER -175.33 71.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 156' ' ' VAL . . . 147.99 -156.18 26.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 69.46 -149.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.571 0.807 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.603 ' HA3' HD22 ' A' ' 148' ' ' LEU . . . -41.78 -84.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 153' ' ' GLY . 0.0 OUTLIER 40.02 -97.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 155' ' ' GLY . 32.4 t70 -45.45 -50.53 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 36.6 t -41.78 -47.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.626 HD11 HD21 ' A' ' 148' ' ' LEU . 28.3 mt -73.11 -44.41 60.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -34.93 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.1 -50.56 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -52.72 -31.89 40.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.641 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.578 HD21 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -73.2 -49.99 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -54.88 -60.01 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -43.0 -37.29 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 54.3 p -99.87 75.14 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.33 -67.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.084 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 89.26 137.71 6.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.5 mt -65.02 113.03 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 75.1 t60 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.612 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -104.69 139.93 38.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.64 166.94 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.59 107.94 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.462 ' HG2' ' CB ' ' A' ' 167' ' ' MET . 0.0 OUTLIER -159.32 170.75 21.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.428 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -131.89 165.19 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -144.37 157.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.2 p -136.22 100.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 91' ' ' LEU . 59.0 mt -92.74 84.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.3 167.66 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.57 129.82 2.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.22 156.21 0.49 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.67 19.91 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 68.09 50.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.83 27.86 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.53 72.69 0.49 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -107.76 -58.02 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -54.33 -49.1 70.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.6 m -47.85 -39.22 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -57.77 -58.9 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.555 HD22 ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -52.05 -39.34 59.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -63.05 -46.74 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -46.0 -57.56 4.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.083 . . . . 0.0 109.383 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 55.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -101.37 -52.78 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.15 -63.35 0.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.51 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 9.4 ptp180 -65.96 147.5 53.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.85 -62.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.32 129.57 40.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mm -103.07 118.39 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.606 1.192 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.07 140.35 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.9 p -125.57 140.35 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.54 88.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 tp -140.71 149.48 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.16 -54.96 3.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.64 101.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.2 p -54.67 142.65 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.6 p -63.88 156.67 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -81.69 -19.94 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.615 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -108.18 3.06 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.9 p 46.88 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 61' ' ' ASP . 2.5 tp -119.34 96.55 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 9.08 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HA ' HD22 ' A' ' 24' ' ' LEU . 4.1 mp0 -103.27 37.93 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER 40.45 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.557 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.4 mm -149.94 113.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.531 ' CE1' HH21 ' A' ' 160' ' ' ARG . 5.8 t-80 -95.5 116.48 28.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mm -130.63 126.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -86.6 -41.28 14.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.375 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.0 -74.03 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.26 170.66 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 0.796 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.19 143.26 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -164.29 -56.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp 64.22 116.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 60' ' ' ILE . 6.8 mm -138.25 157.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.483 ' HA ' HD13 ' A' ' 46' ' ' LEU . 3.1 m-20 -134.68 131.78 38.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 62' ' ' THR . 4.7 t -96.57 73.46 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -62.74 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.02 -64.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.89 166.1 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -44.51 -47.86 10.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.15 -65.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.0 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -39.91 -38.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.942 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -76.79 -70.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -40.15 -47.34 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 44' ' ' ASP . 11.2 t -44.61 -60.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.392 1.057 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -49.8 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -56.46 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 mm -45.35 -48.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.19 42.22 2.01 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.549 1.156 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.608 HG22 ' N ' ' A' ' 78' ' ' GLU . 2.7 mp 59.92 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.608 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER 60.64 160.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.26 -82.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.65 -49.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -108.3 85.2 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.63 126.41 51.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -48.48 139.25 9.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 84' ' ' ILE . 7.5 tp -148.77 111.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 3.3 mm-40 -48.98 174.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -123.01 136.66 54.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.432 ' O ' HD23 ' A' ' 115' ' ' LEU . . . -45.69 105.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 3.0 m-20 -108.02 63.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER 162.91 130.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.9 t -124.79 118.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -131.1 98.49 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -115.17 142.18 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.78 137.99 31.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' GLY . 32.0 m -119.73 6.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 60.72 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -171.8 -132.68 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.1 t -46.63 -30.94 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.0 p -39.76 125.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -133.03 164.75 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -174.85 174.04 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.6 -1.47 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.38 -15.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -61.89 -49.76 84.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -74.95 -43.71 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.56 65.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 174.42 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.4 pt -92.13 -29.76 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.457 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -56.83 -56.09 36.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.95 56.32 4.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.73 -46.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -40.93 -33.43 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 112' ' ' ILE . 3.7 mp -82.17 79.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -177.27 128.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 56.98 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 115' ' ' LEU . 1.1 pp -145.74 154.75 52.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 151.86 39.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -133.23 86.61 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -63.99 126.8 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.725 HD23 ' HD2' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -107.41 120.6 47.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.725 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.08 154.55 42.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 122' ' ' THR . 3.7 mm -118.97 163.89 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.643 ' HB ' HG21 ' A' ' 130' ' ' ILE . 0.9 OUTLIER -94.57 147.54 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' VAL . 3.5 t -79.95 54.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.835 HG13 ' HA ' ' A' ' 129' ' ' ASP . 76.4 t 37.41 -100.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.599 ' N ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 76.67 -67.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.083 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.99 -171.16 3.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.92 46.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 41.02 44.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.835 ' HA ' HG13 ' A' ' 124' ' ' VAL . 1.7 m-20 63.84 104.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.643 HG21 ' HB ' ' A' ' 122' ' ' THR . 4.2 tp -46.25 -23.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.549 ' C ' ' O ' ' A' ' 130' ' ' ILE . 4.4 m -25.77 -67.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.467 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -39.7 -83.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.34 -49.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -47.28 -59.03 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 134' ' ' THR . 0.1 OUTLIER -47.85 -57.78 5.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -41.2 -53.93 3.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.73 99.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.715 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.83 51.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.065 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.6 7.47 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.5 p -154.76 147.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.14 89.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.18 134.29 33.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -67.16 -44.65 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -161.78 150.97 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.0 mt -114.57 120.72 41.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.737 HD12 HD23 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -144.84 139.53 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -105.04 134.52 48.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.737 HD23 HD12 ' A' ' 146' ' ' ILE . 2.3 pp -152.44 176.22 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.5 t -125.0 -178.18 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -89.93 -61.94 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 151' ' ' ARG . 1.3 ttp-105 -63.21 -69.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 154' ' ' GLU . 76.7 p -92.22 78.18 5.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -53.61 88.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' THR . 7.4 mt-10 -54.91 -45.04 74.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 0.75 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -132.98 60.24 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.54 -2.6 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 0.793 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.88 -48.3 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.519 ' O ' ' CD2' ' A' ' 162' ' ' HIS . 66.1 t -60.86 -19.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 91' ' ' LEU . 5.1 tp -82.43 -44.05 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.531 HH21 ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -60.17 -51.99 67.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.238 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 164' ' ' LYS . 6.1 m-80 -46.09 -65.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 158' ' ' VAL . 36.2 m-70 -40.22 -43.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.605 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 163' ' ' LEU . 0.2 OUTLIER -48.99 -49.84 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 161' ' ' ASN . 23.9 pttt -87.94 55.34 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -149.74 -54.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 44.7 t -92.04 20.92 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.462 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 63.86 134.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.5 pt -65.9 123.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.62 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.913 HD21 HG22 ' A' ' 169' ' ' ILE . 5.0 tp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -106.61 -45.88 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 66.17 113.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.62 160.18 26.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -175.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.878 ' HB3' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -118.97 -179.54 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 163' ' ' LEU . 5.3 p -155.51 152.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.74 129.61 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 12' ' ' ILE . 2.7 mt -129.88 83.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.65 159.0 20.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.7 -154.54 25.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.414 1.071 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.08 125.37 89.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 86.23 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.445 1.761 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 162.5 -37.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.84 61.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 36.84 84.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 -31.93 11.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.65 -41.74 10.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -50.33 -28.22 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.88 -40.34 47.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.758 HD11 ' NE2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -64.58 -42.71 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -58.66 -43.63 89.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.1 91.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.512 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -51.82 -67.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.603 ' HB2' ' HE1' ' A' ' 49' ' ' HIS . . . -47.71 -66.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.27 28.78 35.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -78.44 148.81 33.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 0.753 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.7 mp0 -78.82 63.16 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 31' ' ' GLU . . . 169.34 65.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 124.33 19.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tp -123.92 140.09 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.67 112.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 t -88.97 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.36 88.25 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 tt -135.63 160.84 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.96 -39.46 6.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.77 109.85 0.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -73.41 102.16 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 45' ' ' VAL . 9.8 t -47.24 120.67 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -35.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.1 p30 -70.04 -8.74 51.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.614 HG21 ' O ' ' A' ' 63' ' ' ALA . 46.1 t 69.79 -59.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.828 HD13 ' HA ' ' A' ' 61' ' ' ASP . 5.2 tp -37.84 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' VAL . 18.1 tpt180 -124.93 8.79 8.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HB3' HD13 ' A' ' 24' ' ' LEU . 67.8 mt-10 -130.65 31.75 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.758 ' NE2' HD11 ' A' ' 24' ' ' LEU . 24.4 p80 37.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.612 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.833 HG21 ' H ' ' A' ' 60' ' ' ILE . 6.6 tp -160.27 110.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -76.85 127.28 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.1 mm -115.82 83.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -41.47 -41.44 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.16 -92.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttt -121.24 141.32 32.84 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.77 4.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.33 146.19 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 69.19 139.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 50' ' ' ILE . 10.6 pt -148.83 155.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.833 ' H ' HG21 ' A' ' 50' ' ' ILE . 1.8 pp -112.21 -171.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.828 ' HA ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -156.26 143.51 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.878 HG22 ' HB3' ' A' ' 9' ' ' LYS . 8.2 p -83.67 124.7 31.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.773 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . . . -70.5 -81.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.419 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 99.77 -69.58 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 64' ' ' GLY . 0.6 OUTLIER -109.59 140.75 43.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -42.39 -51.21 4.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.03 -46.47 75.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -52.03 -47.56 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.494 ' OG ' HG21 ' A' ' 84' ' ' ILE . 8.2 t -38.04 -49.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -72.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -40.89 -33.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' ILE . 73.4 t -71.25 -55.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.67 81.84 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.2 -31.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 72' ' ' VAL . 1.2 tt -76.0 -17.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.395 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.75 3.63 34.18 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.9 mt 58.17 86.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -170.0 175.1 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' GLU . 1.1 mtm180 -38.84 124.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 81' ' ' TRP . . . -88.29 46.11 1.35 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CG ' ' O ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER 161.18 70.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' TRP . 2.0 mt-30 166.53 136.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 69.27 103.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.773 ' CG1' ' HB2' ' A' ' 63' ' ' ALA . 3.3 tp -175.33 56.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.35 106.3 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.68 ' NE2' ' HB2' ' A' ' 87' ' ' ALA . 2.1 pp0? -130.34 -165.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.68 ' HB2' ' NE2' ' A' ' 86' ' ' GLN . . . 56.36 101.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.88 -51.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.48 ' NH1' ' ND1' ' A' ' 143' ' ' HIS . 0.6 OUTLIER -130.6 116.71 18.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.515 HG21 ' OE1' ' A' ' 110' ' ' GLU . 54.8 t -93.24 133.4 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.412 1.07 . . . . 0.0 109.237 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.94 85.83 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -82.67 100.26 10.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -77.02 117.78 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.6 t -125.35 130.24 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 174.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.61 -101.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.3 p -107.53 50.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.373 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.6 m -98.7 108.28 20.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.5 t -91.73 159.84 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.5 148.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.54 -5.83 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.414 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 84.1 t -96.05 -20.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.12 -51.83 71.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.785 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.3 Cg_endo -75.03 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 108' ' ' TRP . . . -50.19 -31.31 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.55 -42.76 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.785 HG22 ' HA ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -86.19 46.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.585 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -92.43 -62.17 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.585 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.02 -6.57 18.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.567 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 5.2 mm-40 -78.55 -49.35 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -43.75 -48.4 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.2 pp -91.82 109.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB1' ' CD1' ' A' ' 115' ' ' LEU . . . -170.52 177.41 4.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -122.71 44.25 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.755 HD22 ' O ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -159.5 154.79 21.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.74 43.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.435 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . . . -142.82 106.52 4.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -177.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 129.67 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' A' ' 148' ' ' LEU . 18.3 Cg_endo -74.96 177.36 8.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.933 ' CG2' HG23 ' A' ' 134' ' ' THR . 0.6 OUTLIER -137.01 -46.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.7 m 70.27 134.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.434 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 123' ' ' VAL . 7.3 p -105.48 55.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 130' ' ' ILE . 8.7 p -43.19 148.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -67.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.83 104.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 129' ' ' ASP . 2.3 ttmm -65.71 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.613 1.196 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.53 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -173.36 -49.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 124' ' ' VAL . 18.9 pt -61.11 -28.24 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.4 m -58.92 -66.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.34 57.11 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.81 -53.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.933 HG23 ' CG2' ' A' ' 121' ' ' ILE . 82.8 m -62.16 -70.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 110.435 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -55.03 40.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 138' ' ' SER . . . -41.27 -67.19 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 85.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -137.65 67.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.69 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.55 142.22 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -47.53 -52.66 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 65.71 146.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.48 ' ND1' ' NH1' ' A' ' 89' ' ' ARG . 10.6 t60 -41.42 -61.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -173.28 -164.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -131.56 128.89 40.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.55 111.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -70.69 151.63 44.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -167.2 -167.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' ' HB ' ' A' ' 152' ' ' THR . 0.0 OUTLIER -132.77 -165.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -108.13 -52.14 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 151' ' ' ARG . 1.7 ptm85 -106.01 -34.31 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.229 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.48 ' HB ' ' CB ' ' A' ' 149' ' ' SER . 3.3 m -64.87 -13.28 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 74.14 -93.02 0.76 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.9 -67.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . -93.87 -93.99 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 157' ' ' ASP . 76.4 t 55.25 -90.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 0.711 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 155' ' ' GLY . 14.2 t70 -48.1 -42.83 30.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 159' ' ' LEU . 37.8 t -47.81 -80.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.402 ' N ' HG12 ' A' ' 158' ' ' VAL . 2.1 pp -46.37 -38.68 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -42.65 -57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.93 -45.64 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -67.4 -28.0 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -70.73 -21.98 62.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.212 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -91.99 -56.64 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -41.36 -35.47 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 32.0 m -59.13 -46.91 87.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 164' ' ' LYS . 28.2 mtt -48.98 117.68 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -99.42 160.9 19.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.913 HG22 HD21 ' A' ' 4' ' ' LEU . 1.1 pt -48.07 107.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 0.714 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.561 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -142.9 70.67 1.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.435 0.726 . . . . 0.0 110.026 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.2 mp 42.22 64.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -160.74 86.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -121.14 178.27 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -172.18 177.65 3.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.62 174.67 18.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mtt -171.68 -176.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.018 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HB3' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -98.55 123.93 43.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.845 HG11 HD21 ' A' ' 163' ' ' LEU . 4.9 m -121.23 137.66 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.74 ' CG1' HG23 ' A' ' 90' ' ' VAL . 9.4 p -117.25 143.74 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.5 mt -123.22 120.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.45 -177.51 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 137.54 55.91 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.165 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.482 HH12 ' HB2' ' A' ' 18' ' ' ALA . 16.0 mtm105 63.87 150.56 0.11 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -74.99 112.68 3.62 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 5.8 t30 78.56 85.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.482 ' HB2' HH12 ' A' ' 15' ' ' ARG . . . -168.78 35.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.21 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.47 54.39 3.76 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -63.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 0.709 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 m -63.73 -56.74 13.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.35 -34.71 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.97 -63.46 1.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.702 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -40.93 -47.91 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -45.21 -65.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.12 -26.65 4.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 2.7 tp -66.54 -67.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.77 117.76 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -47.02 -26.78 3.14 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.541 1.15 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.866 HH21 ' CE1' ' A' ' 49' ' ' HIS . 11.7 mtm-85 -50.11 150.44 2.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 0.797 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 2.8 mp0 -92.65 -63.46 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.4 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 31' ' ' GLU . . . -83.0 106.98 15.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.77 138.54 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -137.33 140.78 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -122.9 -174.36 2.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -101.91 139.24 37.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' N ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -36.49 -42.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' N ' HG12 ' A' ' 38' ' ' ILE . . . 39.26 30.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 96.13 115.08 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.529 HG22 ' NH2' ' A' ' 47' ' ' ARG . 11.9 p -52.88 122.94 10.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.415 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 p -59.46 148.84 31.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -38.25 84.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' C ' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -76.16 -4.14 40.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 45' ' ' VAL . 7.5 p 42.22 40.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.815 HD13 ' H ' ' A' ' 62' ' ' THR . 3.0 tp -121.43 73.76 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' NH2' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -109.49 15.82 22.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.163 . . . . 0.0 110.26 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.541 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -110.58 36.02 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.24 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.866 ' CE1' HH21 ' A' ' 30' ' ' ARG . 1.4 m170 51.38 -175.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.544 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 58' ' ' HIS . 1.4 pt -122.7 96.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -68.24 120.21 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.631 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 tp -152.88 102.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.593 1.183 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.39 -35.5 27.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -47.76 -95.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.7 151.36 37.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 0.779 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -47.86 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.97 84.07 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.469 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 5.0 t-80 -154.43 115.84 4.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.66 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 pp -99.82 128.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 61' ' ' ASP . 5.7 mt -123.95 160.8 27.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.559 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -151.09 119.4 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 109.342 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.815 ' H ' HD13 ' A' ' 46' ' ' LEU . 20.4 m -106.23 104.32 13.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.448 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.74 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -88.28 -96.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.67 18.28 14.69 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.16 162.31 41.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 0.795 . . . . 0.0 109.319 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -65.47 0.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -25.11 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.263 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.538 ' CB ' ' HB1' ' A' ' 63' ' ' ALA . . . -70.41 -57.67 4.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.568 ' HB3' HG21 ' A' ' 84' ' ' ILE . 9.2 m -54.3 -37.08 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.14 -43.92 85.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -26.74 63.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.74 HG21 ' HB2' ' A' ' 63' ' ' ALA . 2.5 t -65.65 -46.09 90.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.65 52.7 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -165.43 -43.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.442 ' O ' HD13 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -67.41 -39.9 83.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' ILE . . . -90.4 39.55 3.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.557 1.16 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' GLY . 3.7 mt 40.36 84.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -161.58 135.21 6.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -51.64 150.56 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.68 64.32 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -106.91 -162.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 107.986 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.31 129.58 55.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.385 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 170.52 88.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 69' ' ' SER . 0.9 OUTLIER -173.88 128.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.72 -169.96 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -112.28 166.82 10.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.81 158.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -133.74 -55.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.476 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 40.1 mmt-85 -108.25 94.06 4.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.74 HG23 ' CG1' ' A' ' 11' ' ' VAL . 7.8 p -100.34 80.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -77.21 142.09 39.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.642 ' N ' HD22 ' A' ' 91' ' ' LEU . 70.8 m-85 -105.99 156.88 17.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 mmt -129.22 117.72 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.864 HG22 ' HG2' ' A' ' 120' ' ' PRO . 6.1 m -120.16 153.99 23.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -101.06 109.14 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.59 -150.03 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 t -87.98 50.25 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.9 m -101.55 130.82 47.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.38 1.05 . . . . 0.0 110.375 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 m -120.1 102.81 8.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.412 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -99.91 174.81 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -16.23 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 t -93.02 -9.35 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.515 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -60.63 -51.78 77.3 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.0 Cg_endo -75.03 -38.17 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 110.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 62.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' PRO . 0.7 OUTLIER 169.8 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.969 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.0 OUTLIER -96.26 -16.51 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.468 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -66.48 -56.49 15.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 107.981 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.02 55.58 4.0 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -150.16 -51.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 140' ' ' VAL . 0.7 OUTLIER -42.48 -38.37 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -84.84 79.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -158.05 -179.93 8.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 1.077 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -115.18 54.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.06 156.16 14.65 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.74 42.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 118' ' ' LYS . . . -101.11 -70.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.53 ' NZ ' HD12 ' A' ' 159' ' ' LEU . 0.4 OUTLIER 82.88 88.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 145' ' ' LEU . 4.0 mt -90.02 150.47 43.58 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.864 ' HG2' HG22 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.04 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 147' ' ' ARG . 5.2 mt -136.29 151.09 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -103.5 142.58 34.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.446 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.14 42.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 1.035 HG12 HD11 ' A' ' 130' ' ' ILE . 6.6 p -79.8 175.08 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.606 ' H ' HG22 ' A' ' 124' ' ' VAL . 11.8 ptp180 -52.95 177.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.36 107.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -58.18 3.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.8 76.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.383 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t70 176.2 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.035 HD11 HG12 ' A' ' 124' ' ' VAL . 17.9 mm -67.43 -64.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.2 p -42.73 -40.37 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -49.09 -54.98 12.82 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -102.32 48.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 110.247 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.2 m -115.31 -39.59 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.93 -69.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -39.07 -54.27 2.5 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.13 57.01 3.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.632 0.842 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.3 t 70.76 -69.14 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.621 ' O ' HG12 ' A' ' 140' ' ' VAL . 0.3 OUTLIER 174.42 -176.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 139' ' ' GLU . 0.4 OUTLIER 73.14 152.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -98.17 88.18 4.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.99 132.05 50.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -42.5 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.601 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -153.46 142.83 21.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.543 ' C ' HD12 ' A' ' 146' ' ' ILE . 8.9 mt -106.36 115.39 30.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 145' ' ' LEU . 4.3 mp -129.02 129.67 68.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.469 ' HB3' ' CG2' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -83.52 152.12 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.255 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.59 174.76 4.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.5 p -139.98 171.19 14.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.068 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -78.96 -75.44 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.5 -85.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 87.8 m -66.12 137.74 57.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -79.66 61.86 4.2 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.21 -70.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -131.62 71.1 0.51 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 41.8 t -102.0 -46.63 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.98 -35.33 67.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.364 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.53 HD12 ' NZ ' ' A' ' 118' ' ' LYS . 0.3 OUTLIER -79.42 -23.63 43.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -47.24 16.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 110.238 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -60.29 -25.8 66.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -91.58 21.05 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.845 HD21 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -122.01 -44.14 2.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -66.24 -33.72 76.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -39.88 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.35 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.476 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 23.1 m -58.41 -72.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.1 ptt? -50.2 131.89 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.88 168.67 36.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 170' ' ' HIS . 4.1 mm 55.16 169.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.514 ' N ' HG22 ' A' ' 169' ' ' ILE . 2.1 t-80 87.12 113.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.36 84.85 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 14.2 t0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -124.3 148.64 47.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.94 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.5 17.59 4.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.8 mt -124.57 148.41 47.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.29 162.18 14.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.398 1.061 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -103.97 139.11 39.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.0 120.09 0.92 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.97 -166.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 151.71 46.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 10' ' ' VAL . 16.5 m -149.56 103.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.577 HG13 HG23 ' A' ' 90' ' ' VAL . 7.1 p -85.31 151.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.7 mt -129.84 88.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.87 -177.53 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.27 158.85 7.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.3 ptt85 -57.36 158.74 9.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.73 11.67 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.48 83.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -158.19 -57.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.31 68.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.103 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -110.2 -87.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 0.81 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 m -49.61 -31.1 9.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -44.6 83.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.402 HD21 HD22 ' A' ' 91' ' ' LEU . 7.6 tp -69.0 -43.08 75.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.711 ' C ' HD23 ' A' ' 24' ' ' LEU . 3.6 tt -43.76 -55.42 4.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' ND2' ' HB1' ' A' ' 33' ' ' ALA . 3.2 m-20 -44.07 -70.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.87 -49.73 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tp -48.94 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.49 -57.33 4.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.378 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.74 62.67 5.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -128.09 39.36 3.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 0.731 . . . . 0.0 110.25 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 54.48 169.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 42.96 81.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' HB1' ' ND2' ' A' ' 25' ' ' ASN . . . -63.23 118.8 8.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -103.63 124.0 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.7 t -130.98 140.97 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -136.29 151.62 49.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.93 78.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.1 mm -56.86 159.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.52 -63.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' C ' ' HG1' ' A' ' 41' ' ' THR . . . -97.45 50.43 1.43 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.413 1.071 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 40' ' ' GLY . 77.1 p 40.64 -160.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 p -127.37 147.1 50.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -62.67 -42.62 99.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.614 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -83.9 -0.67 52.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.365 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 44' ' ' ASP . 8.0 p 47.21 32.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.567 HD22 ' HA ' ' A' ' 61' ' ' ASP . 5.5 tp -110.04 99.33 8.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.06 4.51 7.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.597 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.7 mp0 -92.1 15.39 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 50.36 -175.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.621 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.779 HD13 ' H ' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -130.25 166.21 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CE1' HH21 ' A' ' 160' ' ' ARG . 1.2 t-80 -170.48 102.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.72 87.25 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.403 1.064 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -41.03 -49.94 3.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -44.44 -89.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -128.82 132.94 24.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 55' ' ' MET . 18.3 Cg_endo -74.94 58.58 4.89 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.98 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -134.72 152.88 52.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.534 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.626 HD13 ' C ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -139.75 98.58 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.2 mt -113.65 146.35 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.567 ' HA ' HD22 ' A' ' 46' ' ' LEU . 7.1 m-20 -133.96 134.62 42.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 62' ' ' THR . 9.7 t -78.09 104.97 8.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 45' ' ' VAL . . . -65.31 -97.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.46 -72.28 0.48 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.108 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.1 -148.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.41 -47.72 16.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -64.13 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 72' ' ' VAL . . . -45.83 -53.48 9.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -49.05 -48.46 43.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.046 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -61.29 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -55.12 -29.91 58.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.355 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.43 HG21 ' HA ' ' A' ' 63' ' ' ALA . 2.1 t -65.55 -26.89 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE1' ' CG ' ' A' ' 82' ' ' GLN . 5.0 mm-40 -90.68 -8.65 49.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 -89.81 -63.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -19.08 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.85 -20.52 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt 50.74 61.36 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.91 89.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.15 162.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.51 -56.96 9.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.91 134.53 26.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.012 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -153.18 -159.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.342 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.16 152.59 32.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -149.72 -46.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 76.97 154.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.85 179.57 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.743 ' O ' HD11 ' A' ' 115' ' ' LEU . . . -67.43 155.29 39.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.468 ' HA ' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -116.81 -7.08 11.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.459 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 1.4 tpp180 -163.91 141.14 7.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.577 HG23 HG13 ' A' ' 11' ' ' VAL . 1.4 p -132.33 127.46 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.871 HD11 HD21 ' A' ' 159' ' ' LEU . 0.7 OUTLIER -100.19 131.6 46.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.957 ' CE2' HG22 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -124.45 104.86 8.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.08 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.455 ' HA ' ' CG ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -82.61 135.31 35.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.69 109.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.63 148.12 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 109.366 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 122' ' ' THR . . . -62.9 135.55 43.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.716 HG23 ' OE1' ' A' ' 133' ' ' GLU . 2.3 m 39.31 56.51 2.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.0 m -134.18 92.36 2.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.5 p -104.23 98.5 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' ASP . 45.6 m-20 -107.42 169.92 8.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.8 -9.79 59.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.01 0.23 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.517 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.04 -51.78 3.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.04 -36.84 2.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.66 -13.24 40.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.21 -42.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.957 HG22 ' CE2' ' A' ' 92' ' ' PHE . 1.1 pt -92.57 25.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.478 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -79.57 -57.75 0.69 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -16.74 20.03 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.85 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.457 ' CE1' HG23 ' A' ' 140' ' ' VAL . 0.4 OUTLIER -87.37 48.02 1.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.3 tp -174.39 76.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -178.46 157.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.57 ' C ' HD22 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -92.24 37.35 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.743 HD11 ' O ' ' A' ' 87' ' ' ALA . 4.2 mm? -121.53 132.62 24.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.5 Cg_endo -75.08 138.15 22.48 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -113.91 139.77 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 162' ' ' HIS . 0.5 OUTLIER -117.41 143.95 45.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -128.66 140.53 38.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.455 ' CG ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.99 -168.44 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.413 1.744 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.565 ' CG1' HD22 ' A' ' 145' ' ' LEU . 63.5 mt -145.41 141.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.737 ' O ' HG21 ' A' ' 130' ' ' ILE . 2.1 m -115.06 59.76 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 123' ' ' VAL . 9.8 p -72.6 67.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -91.31 -175.69 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -43.15 160.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.4 m120 64.03 86.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -5.1 42.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 173.44 -46.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.737 HG21 ' O ' ' A' ' 122' ' ' THR . 4.9 mp -80.19 -37.79 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 91.4 m -64.84 -27.44 68.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -86.67 -30.36 21.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.592 1.182 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.716 ' OE1' HG23 ' A' ' 97' ' ' THR . 0.4 OUTLIER -74.26 -38.45 63.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.221 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.756 ' C ' HD23 ' A' ' 135' ' ' LEU . 7.8 t -75.19 -54.43 7.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.756 HD23 ' C ' ' A' ' 134' ' ' THR . 1.6 pt? 38.72 -150.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.415 ' N ' ' HG ' ' A' ' 135' ' ' LEU . . . -76.14 62.01 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.552 ' HG3' HD11 ' A' ' 145' ' ' LEU . 1.2 mpp? 60.86 -85.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER 159.45 -35.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.756 ' O ' HG12 ' A' ' 140' ' ' VAL . 12.0 pt-20 -166.37 173.17 10.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.756 HG12 ' O ' ' A' ' 139' ' ' GLU . 6.4 p 50.75 177.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.668 ' H ' HG22 ' A' ' 140' ' ' VAL . 6.1 t-20 -102.2 122.99 45.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -78.48 136.87 18.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -73.7 -48.8 29.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.659 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.41 124.53 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.565 HD22 ' CG1' ' A' ' 121' ' ' ILE . 1.1 mt -104.3 97.84 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 2.5 pp -125.96 165.88 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.21 147.33 33.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.803 HD13 ' O ' ' A' ' 148' ' ' LEU . 0.0 OUTLIER -174.64 145.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.603 ' N ' HD22 ' A' ' 148' ' ' LEU . 27.3 p -125.1 128.79 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.35 64.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.38 -70.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 38.8 p -103.71 6.25 36.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 60.83 52.54 51.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -40.8 -65.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 158' ' ' VAL . . . -135.4 52.33 0.8 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 6.3 p -77.87 -2.29 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.477 0.751 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -50.86 6.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 155' ' ' GLY . 9.4 p -59.32 -22.44 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.871 HD21 HD11 ' A' ' 91' ' ' LEU . 1.4 tm? -78.75 -57.27 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.709 HH21 ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -49.63 -51.19 39.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.384 1.052 . . . . 0.0 110.376 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -49.27 -54.3 17.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -54.43 -33.43 59.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.413 HD13 HD13 ' A' ' 159' ' ' LEU . 3.4 mp -79.06 -24.4 43.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -78.53 -48.67 14.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -15.57 50.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.459 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 1.4 t -79.29 -59.48 2.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 58.5 mtm -43.8 105.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -75.36 162.2 53.31 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.2 pt -57.44 120.27 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 178.17 145.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.577 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.56 161.41 40.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 13.2 t0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -166.62 128.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.784 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -118.51 -43.09 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 54.16 -176.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.375 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.4 143.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -134.74 148.44 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.63 128.66 2.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.44 ' CE ' ' HB2' ' A' ' 88' ' ' ASP . 0.6 OUTLIER -170.08 150.43 3.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.921 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.546 ' HE3' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -113.86 146.74 39.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.741 HG21 HD21 ' A' ' 163' ' ' LEU . 5.8 m -126.17 147.34 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.61 139.11 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.906 HG22 ' HB3' ' A' ' 91' ' ' LEU . 1.1 pt -123.9 77.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.76 121.03 26.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 93' ' ' MET . . . -151.75 -168.21 15.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.499 HH21 ' CB ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -78.42 157.99 76.98 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.464 0.743 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -5.08 16.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.518 1.799 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -146.73 67.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 15' ' ' ARG . . . -131.59 -67.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.68 62.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.381 1.051 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -110.08 -15.96 13.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 m -86.59 -56.69 3.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -64.93 -15.03 61.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.27 -55.73 5.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.2 pp -58.53 -29.21 66.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -75.02 -19.73 59.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.82 21.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -121.26 42.15 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -108.78 -47.68 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.24 -55.0 1.53 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -40.83 116.96 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.2 tp10 -38.85 148.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.651 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . 62.5 -82.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 81.82 101.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.454 1.097 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 pt -85.13 154.91 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -122.4 149.04 25.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 p -116.22 160.81 19.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.29 82.75 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.49 121.84 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.62 -34.31 77.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 41' ' ' THR . . . -51.0 110.19 0.91 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' GLY . 13.9 p -38.53 153.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.37 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -91.1 -19.5 23.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.372 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 42' ' ' THR . 22.9 mmt180 66.78 -60.46 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.1 m-20 -67.67 -8.76 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 47' ' ' ARG . 22.8 t 70.55 -60.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -40.15 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -140.21 23.08 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.84 63.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 44.02 -165.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.525 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 50' ' ' ILE . 3.6 mp -114.92 -38.19 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 50.12 87.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.561 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 52' ' ' ILE . 1.9 tp -130.34 97.18 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.3 t70 -55.52 -49.55 72.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' ASP . . . -37.72 -82.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -146.7 140.97 15.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 111.058 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 52.48 58.11 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -168.33 127.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 0.0 109.558 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.9 mp -111.3 153.66 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 61' ' ' ASP . 18.4 mm -106.62 -98.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.507 ' N ' HG22 ' A' ' 60' ' ' ILE . 1.0 OUTLIER 156.38 69.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 62' ' ' THR . 3.0 m -67.02 69.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 61' ' ' ASP . . . -76.12 -160.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.66 -65.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.57 -168.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 0.816 . . . . 0.0 109.292 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -73.37 -48.18 36.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -37.34 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.9 76.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.592 1.182 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 25.5 t -49.1 -35.9 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.064 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' HB2' HH21 ' A' ' 74' ' ' ARG . 30.1 m-20 -80.25 -51.27 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -50.93 60.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.28 -19.29 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 69' ' ' SER . 16.3 mm-40 -91.9 -9.01 44.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.479 HH21 ' HB2' ' A' ' 70' ' ' ASP . 8.0 mtm180 -93.12 -50.79 5.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.927 ' O ' HD13 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -68.32 -25.15 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.74 -15.35 58.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.451 1.094 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.5 mt 57.75 101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -172.29 75.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.252 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 48.18 -92.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -174.41 -55.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.26 91.73 5.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 36.94 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 42.96 86.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.412 1.07 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -78.41 141.19 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' N ' HD13 ' A' ' 84' ' ' ILE . 1.3 mm-40 -82.17 135.66 35.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.32 163.02 14.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.546 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . . . -77.33 149.99 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.44 ' HB2' ' CE ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -138.04 20.13 2.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.716 ' N ' HD12 ' A' ' 115' ' ' LEU . 6.4 mmm-85 -164.05 154.19 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.444 HG23 ' HG ' ' A' ' 115' ' ' LEU . 21.1 t -137.17 147.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.906 ' HB3' HG22 ' A' ' 12' ' ' ILE . 3.9 tt -129.07 91.96 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' HB3' HD13 ' A' ' 119' ' ' LEU . 11.0 m-85 -72.02 162.97 28.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.457 ' CG ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -149.38 124.76 10.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.426 1.079 . . . . 0.0 110.989 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.58 116.24 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.238 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -64.65 113.0 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.14 -151.41 0.26 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.432 1.083 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.7 t -96.65 42.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.0 m -101.35 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.433 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.2 m -119.38 126.33 51.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.44 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -160.84 176.31 11.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.484 ' C ' HG23 ' A' ' 102' ' ' VAL . . . -49.64 177.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.525 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 4.3 t 76.36 -55.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.516 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -50.38 -51.7 61.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.01 1.89 7.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -95.64 -39.99 9.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.499 ' CB ' HH21 ' A' ' 15' ' ' ARG . 0.1 OUTLIER -95.46 51.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.25 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 108' ' ' TRP . 3.9 tt -143.45 -48.36 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -44.41 -56.39 8.27 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 108.029 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.03 56.45 4.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.369 1.721 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.29 -72.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.685 ' HB2' HG11 ' A' ' 140' ' ' VAL . 3.5 t80 -46.56 -34.99 5.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pp -95.16 81.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.381 1.05 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -157.89 -98.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.236 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.4 -43.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 89' ' ' ARG . 1.4 pt? -68.14 150.18 97.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.05 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 143' ' ' HIS . . . -152.84 169.97 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.632 ' HZ3' HD23 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -142.36 122.96 14.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 92' ' ' PHE . 4.2 mm? -103.98 123.25 41.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.063 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.422 ' CG ' ' HA ' ' A' ' 93' ' ' MET . 18.3 Cg_endo -74.96 175.95 10.54 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.558 1.82 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.634 HD11 ' CB ' ' A' ' 145' ' ' LEU . 7.7 mt -140.1 148.31 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.594 HG22 HG12 ' A' ' 124' ' ' VAL . 66.4 m -133.17 90.03 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.726 ' HA ' HG21 ' A' ' 130' ' ' ILE . 8.8 m -98.51 83.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.594 HG12 HG22 ' A' ' 122' ' ' THR . 2.4 p -137.07 120.66 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.377 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 127' ' ' LYS . 5.3 mtp180 57.76 172.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.505 ' HB2' HD12 ' A' ' 130' ' ' ILE . 6.9 m120 69.76 -65.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 125' ' ' ARG . 1.9 mttm 68.4 -68.89 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -51.7 -60.61 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.62 -40.11 71.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 1.034 HG23 HG21 ' A' ' 134' ' ' THR . 9.9 mt -89.32 78.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.3 m -162.15 -73.32 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 110.386 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.39 -48.37 60.15 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.79 -62.53 1.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 0.793 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 1.034 HG21 HG23 ' A' ' 130' ' ' ILE . 21.7 p -47.22 -63.4 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 1.173 . . . . 0.0 110.416 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -58.71 -75.54 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -37.45 -83.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER 35.13 74.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.981 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 137' ' ' MET . 0.3 OUTLIER -38.44 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 44.37 -150.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.685 HG11 ' HB2' ' A' ' 111' ' ' PHE . 1.2 m -106.84 179.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -69.63 81.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -61.33 140.35 47.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 117' ' ' ALA . 12.6 t-80 -59.53 -40.96 88.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.606 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -170.62 163.76 8.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.634 ' CB ' HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -132.22 113.13 12.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.751 HG21 HG11 ' A' ' 158' ' ' VAL . 13.3 mm -134.42 139.75 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -80.91 160.92 24.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -166.95 165.64 15.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.158 . . . . 0.0 109.191 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.51 146.01 51.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -49.33 -70.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 151' ' ' ARG . 3.6 ptm85 -43.47 135.11 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 3.3 p -38.63 118.3 0.73 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.566 1.166 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 130.54 176.16 14.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 56.28 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 110.271 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . 81.08 -117.34 4.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 52.3 t 61.18 -83.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 155' ' ' GLY . 0.3 OUTLIER -51.45 -37.44 48.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 146' ' ' ILE . 16.0 t -57.02 -38.5 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.632 HD23 ' HZ3' ' A' ' 118' ' ' LYS . 3.3 mp -87.1 -22.52 25.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -37.77 66.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -32.36 59.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.85 -20.08 61.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.634 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.741 HD21 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -83.92 -10.81 57.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -22.6 15.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.21 -50.99 68.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 167' ' ' MET . 17.4 p -66.95 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.031 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 166' ' ' SER . 2.4 mmt 36.99 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -56.8 123.12 31.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 7.7 mt -59.91 118.28 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 26.8 t60 -168.32 152.09 5.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.573 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.16 167.67 22.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.175 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -127.49 134.5 49.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 110.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.77 -65.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.64 179.73 4.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -145.16 140.53 28.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -87.39 147.8 25.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.21 112.22 0.52 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.95 -160.7 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 111.017 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.504 ' HD2' HD12 ' A' ' 60' ' ' ILE . 1.1 tptp -150.56 153.25 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 10' ' ' VAL . 13.2 p -135.65 117.08 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.888 ' CG1' HG22 ' A' ' 90' ' ' VAL . 14.4 p -76.86 148.58 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.578 HD13 ' HB2' ' A' ' 91' ' ' LEU . 4.5 mm -116.96 78.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -173.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.44 161.78 13.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -80.04 151.15 72.81 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.483 0.755 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 65.58 6.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.546 1.814 . . . . 0.0 111.051 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 167.98 42.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.369 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.2 -53.17 0.97 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.08 57.12 0.02 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -61.76 1.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 0.743 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -41.65 88.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -45.37 79.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.825 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 9.0 mt -57.51 -54.64 44.51 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 49' ' ' HIS . 7.1 mt -45.37 -64.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -47.75 -35.74 10.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -54.93 -64.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 159' ' ' LEU . 0.5 OUTLIER -104.79 65.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.41 -63.36 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.05 -50.55 0.79 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -50.54 140.36 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -69.35 -58.28 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.231 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.07 84.79 2.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.63 -179.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 tp -146.54 96.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.9 t -78.92 143.5 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 74.9 p -125.19 113.6 17.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -98.0 84.06 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.377 1.048 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tp -142.18 152.29 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.217 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.91 50.44 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.11 126.6 8.03 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 p -72.96 -36.29 67.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.377 0.692 . . . . 0.0 110.364 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.3 m 52.04 93.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.436 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -56.26 -40.7 74.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' O ' HG12 ' A' ' 45' ' ' VAL . 29.8 m-20 -59.5 -16.71 26.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.8 p 43.0 28.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.372 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -117.37 59.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -112.62 11.6 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.256 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' CA ' HD21 ' A' ' 24' ' ' LEU . 5.4 mp0 -96.24 46.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.56 ' HB2' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 57.99 -175.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.688 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.621 HG23 HG12 ' A' ' 60' ' ' ILE . 24.2 mm -128.72 83.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -61.89 85.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.598 HG21 ' HB3' ' A' ' 58' ' ' HIS . 12.9 mm -135.19 107.32 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.2 -31.36 9.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.37 -65.8 0.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.407 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -136.02 141.69 37.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 55' ' ' MET . 18.0 Cg_endo -74.98 147.84 34.55 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 tp 74.36 52.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.598 ' HB3' HG21 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -123.18 148.63 45.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.529 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.3 mm -133.46 148.08 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.621 HG12 HG23 ' A' ' 50' ' ' ILE . 22.9 pt -137.42 -177.27 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.687 ' HA ' HD13 ' A' ' 46' ' ' LEU . 26.5 m-20 -135.77 149.69 49.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.608 1.192 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.5 m -105.41 -62.77 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' HA ' ' HB1' ' A' ' 68' ' ' ALA . . . 56.23 -167.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.12 -63.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.31 -166.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -59.38 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 65.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -173.4 -44.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.861 ' HB2' HG21 ' A' ' 84' ' ' ILE . 68.7 p -68.06 -19.29 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.995 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -29.51 13.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.28 -53.3 46.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.444 HG12 ' HB3' ' A' ' 44' ' ' ASP . 31.0 m -57.98 -28.38 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' GLU . 14.4 mt-10 -87.24 45.54 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.91 -48.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.452 HG21 ' OD2' ' A' ' 44' ' ' ASP . 0.6 OUTLIER -75.35 -15.49 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 78' ' ' GLU . . . -109.32 40.11 2.67 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 78' ' ' GLU . 1.1 mp 69.06 -59.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.579 0.811 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 77' ' ' ILE . 96.0 mt-10 -34.26 131.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -113.85 -33.94 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 79' ' ' ARG . . . -44.43 163.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.457 ' O ' ' CE3' ' A' ' 81' ' ' TRP . 50.5 p-90 -117.91 57.64 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -165.4 173.36 11.18 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.435 1.084 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.52 85.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.861 HG21 ' HB2' ' A' ' 69' ' ' SER . 7.1 tp -161.19 63.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.85 152.9 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -79.27 163.84 24.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.13 178.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.47 -49.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 116' ' ' PRO . 64.7 mmt-85 -128.97 163.11 26.05 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.888 HG22 ' CG1' ' A' ' 11' ' ' VAL . 90.2 t -131.91 163.79 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' HD13 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -132.9 90.98 2.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.79 83.73 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.415 ' SD ' HD11 ' A' ' 23' ' ' LEU . 13.9 tpt -79.47 140.18 37.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.5 t -125.77 155.43 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -97.04 101.68 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 45.91 -137.9 7.3 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.9 t -101.88 29.76 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.7 m -84.24 129.59 34.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.488 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 99' ' ' THR . 1.7 t -124.87 85.72 2.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.17 -173.91 4.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.22 -7.69 57.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 7.2 p -95.14 -15.83 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -58.8 -52.26 75.99 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.94 -9.11 20.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.548 1.815 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -74.78 -68.42 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.83 -32.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 107' ' ' ILE . 19.1 tt -96.62 99.95 9.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.528 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -179.36 -59.85 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.528 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -9.65 20.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.597 1.84 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.623 ' OE2' HG21 ' A' ' 90' ' ' VAL . 9.4 mm-40 -89.36 -49.0 6.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.343 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.442 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -37.72 -55.91 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.448 ' O ' HD12 ' A' ' 112' ' ' ILE . 1.5 pp -78.71 92.5 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.552 ' HB1' ' CD2' ' A' ' 115' ' ' LEU . . . -168.5 177.23 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.5 mtm-85 -118.5 42.63 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.643 HD12 HG23 ' A' ' 90' ' ' VAL . 1.3 pt? -149.38 143.21 16.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 89' ' ' ARG . 18.0 Cg_endo -75.0 167.0 28.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.08 146.35 31.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -93.96 177.79 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.588 HD11 ' OE1' ' A' ' 139' ' ' GLU . 0.1 OUTLIER -163.04 103.39 1.01 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.36 11.42 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.46 ' HB ' HG23 ' A' ' 134' ' ' THR . 1.2 pt -104.93 97.11 5.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -44.21 162.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.6 p -149.6 52.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.46 164.67 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.55 -176.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.427 ' O ' HG22 ' A' ' 130' ' ' ILE . 0.8 OUTLIER -42.6 126.46 3.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.224 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -24.98 66.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.01 -67.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.118 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.5 -71.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.728 HD13 ' C ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -64.61 98.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 130' ' ' ILE . 0.9 OUTLIER 168.75 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -64.65 -43.55 96.24 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.72 -16.84 33.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.464 0.744 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.46 HG23 ' HB ' ' A' ' 121' ' ' ILE . 0.9 OUTLIER -64.31 -61.62 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.397 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.9 pp -86.29 -36.02 19.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.23 53.83 4.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.412 1.07 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 139' ' ' GLU . 1.0 OUTLIER -109.12 -11.1 14.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.43 0.724 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.9 m 50.24 -93.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.892 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.588 ' OE1' HD11 ' A' ' 119' ' ' LEU . 55.2 mt-10 47.61 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.24 154.53 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.08 101.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -75.15 126.03 8.51 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' A' ' 144' ' ' ALA . 57.9 t-80 -81.07 78.18 7.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 143' ' ' HIS . . . 74.14 146.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.38 96.23 4.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mp -116.05 116.38 52.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 167.83 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -173.02 164.53 4.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.23 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.52 96.38 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -45.33 -29.64 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -53.68 -39.3 65.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 35.8 p -116.7 -55.69 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.603 1.189 . . . . 0.0 110.418 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 112.46 51.48 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.567 1.167 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.24 -70.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.286 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -110.26 62.87 0.28 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.545 ' CG2' ' HB1' ' A' ' 26' ' ' ALA . 1.4 p -97.21 -24.79 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -95.22 -13.54 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.03 -56.97 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.355 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.685 HD12 ' N ' ' A' ' 160' ' ' ARG . 2.9 pp -61.19 -22.85 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.685 ' N ' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -71.17 -24.52 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -76.2 -32.03 58.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -95.68 20.45 9.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.421 HD12 ' SD ' ' A' ' 167' ' ' MET . 0.2 OUTLIER -96.19 -61.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.273 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.73 -47.13 84.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -48.8 -62.92 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.432 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 3.5 m -49.97 -57.96 6.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.075 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.421 ' SD ' HD12 ' A' ' 163' ' ' LEU . 8.8 mtt -39.77 114.57 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.954 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -65.81 168.04 33.02 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 15.9 tt -88.56 137.77 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -171.09 151.83 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.556 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -176.01 -49.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 57.8 t0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.86 129.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.2 OUTLIER -63.27 174.78 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp 73.01 150.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.248 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -153.14 -45.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.09 171.87 0.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.71 141.32 4.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.411 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -149.87 -172.77 4.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.969 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.514 ' CG ' ' HB ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -98.69 147.12 25.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.803 HG21 HD11 ' A' ' 163' ' ' LEU . 3.1 p -143.86 110.69 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.219 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p -106.3 151.62 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -144.6 78.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.88 131.35 44.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.91 165.17 38.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -39.65 137.96 1.04 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 110.323 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.03 134.7 18.07 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.471 1.774 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.6 t-20 80.94 61.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.17 -46.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 146.0 48.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.24 -30.77 12.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -46.7 21.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.027 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 m -60.53 -38.99 86.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -59.39 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -42.96 -44.44 4.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 14.9 m-20 -84.08 82.99 8.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 109.367 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 25' ' ' ASN . . . 167.33 -52.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -65.39 -41.71 93.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 -58.03 7.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.69 64.73 0.67 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' CZ ' ' CE1' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -118.53 92.08 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.238 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -39.05 -55.29 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.97 94.29 9.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.49 171.81 7.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.8 tt -167.45 142.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.2 t -89.88 151.37 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 t -137.43 141.61 41.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -81.57 97.87 8.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.558 HD13 ' HD2' ' A' ' 47' ' ' ARG . 5.8 tp -42.15 -48.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.2 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -106.2 118.18 5.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.435 1.084 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.5 m -38.91 138.77 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.726 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 t -91.74 114.08 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -27.87 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -69.07 -18.38 63.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG11 ' O ' ' A' ' 63' ' ' ALA . 36.8 t 70.15 -59.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.52 94.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.086 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.558 ' HD2' HD13 ' A' ' 38' ' ' ILE . 6.8 ttp85 -119.45 -13.2 9.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.562 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.51 48.74 0.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.557 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER 41.91 -161.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 52' ' ' ILE . 15.3 tt -112.38 166.53 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.391 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.404 ' N ' ' CG1' ' A' ' 50' ' ' ILE . 12.2 t-160 -107.98 59.54 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 56' ' ' PRO . 30.0 mm -43.63 -76.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t70 69.77 -65.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -80.56 -98.55 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -105.98 133.76 20.06 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.542 0.789 . . . . 0.0 111.025 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.508 ' HA ' HD12 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.05 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 75.81 -57.89 0.56 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 171' ' ' ARG . 1.9 t-80 -47.84 114.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.604 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -94.33 150.18 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 109.358 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -134.75 133.74 54.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' CB ' ' HB ' ' A' ' 72' ' ' VAL . 0.3 OUTLIER -106.52 118.37 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.514 ' HB ' ' CG ' ' A' ' 9' ' ' LYS . 82.6 p -111.88 61.04 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.467 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.58 ' O ' HG11 ' A' ' 45' ' ' VAL . . . -59.11 -98.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.6 -89.87 0.14 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -177.3 3.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -64.31 -53.62 45.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -50.44 -70.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -41.21 -45.63 2.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 p -70.42 64.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -153.97 -55.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -39.89 93.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 63' ' ' ALA . 28.7 m -49.38 -45.04 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 78' ' ' GLU . 8.0 mm-40 -61.34 -27.97 68.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.237 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.35 -40.07 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.1 mm -65.18 -34.1 68.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -95.81 21.02 47.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 77' ' ' ILE . 32.0 mm 47.71 84.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 73' ' ' GLU . 1.7 mp0 -158.97 152.3 22.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 79' ' ' ARG . 22.0 ttp-105 -76.68 131.94 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.6 151.23 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 4.6 t90 66.55 70.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 108.051 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -70.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.222 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.32 165.92 3.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -177.56 131.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -79.27 165.71 22.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 150.0 29.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.359 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.66 143.01 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -122.16 -64.47 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -110.98 143.85 41.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.493 HG13 ' CB ' ' A' ' 117' ' ' ALA . 12.2 p -136.69 130.51 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.525 HD11 ' NZ ' ' A' ' 118' ' ' LYS . 9.4 tt -139.65 95.66 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.219 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.553 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 17.2 p90 -97.13 119.94 36.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 tpt -64.6 148.82 50.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.435 HG22 ' CE2' ' A' ' 92' ' ' PHE . 88.6 t -118.49 139.11 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -77.14 108.97 10.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 38.05 -154.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.424 1.078 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 t -77.43 -39.53 46.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.426 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 m -47.6 120.16 3.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 m -112.8 92.77 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.433 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.83 172.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.23 -10.85 59.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.448 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 34.6 t -94.17 -17.38 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.511 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.78 -51.74 73.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.66 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.3 Cg_endo -74.97 -28.49 9.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 102' ' ' VAL . . . -64.21 -30.53 71.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -28.85 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.66 HG22 ' HA ' ' A' ' 104' ' ' PRO . 1.5 tp -106.64 26.77 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.545 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.3 OUTLIER -67.3 -51.46 34.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.08 -42.09 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.541 1.811 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.499 ' CB ' ' CD1' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -46.04 -52.66 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.338 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -37.75 -55.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.618 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 1.1 pt -93.58 107.85 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 167.57 127.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.363 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -68.78 72.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.597 ' O ' HD12 ' A' ' 115' ' ' LEU . 4.3 pp -161.18 133.23 4.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.1 Cg_endo -74.97 146.66 33.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.493 ' CB ' HG13 ' A' ' 90' ' ' VAL . . . -128.12 -173.1 2.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.85 ' HD3' ' HB3' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -140.18 160.62 39.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -141.72 116.03 6.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.2 Cg_endo -75.0 133.72 16.92 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.462 1.77 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.632 HD11 ' HB2' ' A' ' 145' ' ' LEU . 10.8 mm -82.01 148.82 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.583 ' CG2' HG22 ' A' ' 124' ' ' VAL . 16.7 m -101.88 115.04 29.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.088 . . . . 0.0 110.388 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 123' ' ' VAL . 65.8 t -114.23 46.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.583 HG22 ' CG2' ' A' ' 122' ' ' THR . 19.7 m -125.57 162.33 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.59 -162.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -58.18 133.96 56.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 27.1 pttt -73.83 -20.81 60.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.11 76.3 10.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.33 -41.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.568 HD13 ' O ' ' A' ' 122' ' ' THR . 55.4 mt -51.44 -70.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.595 1.184 . . . . 0.0 109.279 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 134' ' ' THR . 3.6 t -39.52 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.461 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 130' ' ' ILE . . . -69.82 -51.15 25.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -63.91 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.338 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 131' ' ' THR . 4.8 t -40.07 -50.65 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.446 ' N ' HG23 ' A' ' 134' ' ' THR . 10.0 mt -41.39 -53.13 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 137' ' ' MET . . . -113.98 47.6 1.03 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER -36.6 -38.72 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 0.758 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.4 m 172.28 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.49 96.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 117.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 86.2 0.97 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -81.98 144.86 24.17 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ALA . 1.4 t-80 -40.25 -53.33 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 0.819 . . . . 0.0 109.571 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.85 ' HB3' ' HD3' ' A' ' 118' ' ' LYS . . . -153.98 -171.09 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.817 HD23 ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -166.91 105.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 6.9 mt -133.16 144.57 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.535 ' HE ' HG21 ' A' ' 123' ' ' VAL . 6.8 ptp85 -47.55 157.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.46 HD13 ' H ' ' A' ' 149' ' ' SER . 0.1 OUTLIER -153.11 152.4 31.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.46 ' H ' HD13 ' A' ' 148' ' ' LEU . 4.1 t -148.31 148.55 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -73.46 -75.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 154' ' ' GLU . 23.8 m -71.89 81.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -52.1 89.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 152' ' ' THR . 1.8 mm-40 -56.21 -50.8 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.41 ' O ' HD21 ' A' ' 148' ' ' LEU . . . -137.79 71.85 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.7 t -98.54 -12.55 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.12 -17.86 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 26.7 m -87.86 -4.99 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 159' ' ' LEU . 0.1 OUTLIER -105.64 -30.05 9.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.524 ' HG3' HD11 ' A' ' 27' ' ' LEU . 7.0 ttm180 -61.48 -34.96 76.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -55.02 27.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -43.82 -40.02 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.559 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.803 HD11 HG21 ' A' ' 10' ' ' VAL . 3.1 mm? -70.9 -45.5 64.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.54 53.47 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.58 -45.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 28.9 p -75.55 -14.44 60.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.079 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.7 114.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -84.4 155.0 30.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.429 HD12 ' HB2' ' A' ' 170' ' ' HIS . 1.9 pp -50.96 175.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.429 ' HB2' HD12 ' A' ' 169' ' ' ILE . 2.4 t-80 73.14 155.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.625 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . 0.439 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -102.36 -24.64 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.46 82.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 0.715 . . . . 0.0 110.037 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.36 -66.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.58 156.96 37.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mtt85 -113.9 169.83 8.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -113.66 -177.79 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.78 113.3 1.02 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.458 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -178.0 132.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 111.017 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.666 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -65.2 -174.74 0.18 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.19 131.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.326 1.016 . . . . 0.0 109.375 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.419 HG12 HG23 ' A' ' 90' ' ' VAL . 59.5 t -90.32 151.2 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 12' ' ' ILE . 71.2 mt -142.16 69.73 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.57 -167.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 124.88 -170.5 16.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -111.67 157.7 38.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.422 0.719 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 142.07 27.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 72.42 71.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.04 -42.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' SER . . . -179.02 -124.51 0.88 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.7 -75.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' GLY . 99.8 p -50.26 -31.47 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -83.14 -48.96 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -48.96 -66.86 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -41.11 -60.39 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.537 ' OD1' ' HB1' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -47.81 -50.74 25.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 156' ' ' VAL . . . -51.31 -48.18 62.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.356 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.32 53.38 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.74 -64.73 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.47 -56.07 0.71 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -61.06 143.97 54.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.788 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.79 -60.06 3.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.81 148.86 28.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.537 ' HB1' ' OD1' ' A' ' 25' ' ' ASN . . . -116.45 125.87 52.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 mt -125.12 110.69 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.68 138.57 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.8 p -112.5 129.78 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -99.31 78.96 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.738 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -123.26 140.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.01 54.26 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -141.67 126.78 3.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -84.9 93.45 8.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 0.741 . . . . 0.0 110.434 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.3 p -46.12 145.12 1.68 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.24 -48.44 68.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.724 ' CB ' HG23 ' A' ' 72' ' ' VAL . 2.5 p30 -66.4 -17.86 65.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.1 p 47.69 30.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.964 HD12 HG23 ' A' ' 62' ' ' THR . 0.2 OUTLIER -123.28 65.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 13.39 28.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.48 42.91 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 9.8 t60 50.14 -172.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 1.059 . . . . 0.0 109.59 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.756 ' HB ' HD12 ' A' ' 60' ' ' ILE . 4.0 pt -144.53 83.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -42.68 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.619 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 52' ' ' ILE . 9.0 tp -125.95 102.11 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.626 1.204 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.03 96.74 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.69 -75.63 0.22 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.75 147.9 60.27 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.454 0.738 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -38.46 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.08 90.61 0.86 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.484 ' O ' ' CD1' ' A' ' 50' ' ' ILE . 1.0 OUTLIER -176.55 90.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.406 1.066 . . . . 0.0 109.637 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.35 130.31 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.756 HD12 ' HB ' ' A' ' 50' ' ' ILE . 59.3 mt -109.52 165.92 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.543 ' HA ' HD13 ' A' ' 46' ' ' LEU . 11.3 m-20 -139.6 131.75 28.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.964 HG23 HD12 ' A' ' 46' ' ' LEU . 78.4 p -114.09 50.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.458 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.09 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.685 ' O ' HD12 ' A' ' 65' ' ' LEU . . . 88.44 20.27 49.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.562 1.163 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 64' ' ' GLY . 0.3 OUTLIER -171.8 177.31 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -85.86 -21.09 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -85.43 -48.93 8.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.99 -4.55 35.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -77.69 -52.65 8.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.57 -43.71 54.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.21 -47.3 62.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.724 HG23 ' CB ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -72.4 -21.01 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.14 49.17 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -167.64 -46.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.42 27.14 21.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.7 mt 44.87 86.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.23 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -155.73 160.45 40.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.245 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.97 168.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.247 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.13 -62.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 31.6 p90 -101.81 -175.4 2.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.097 . . . . 0.0 108.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.88 -175.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.27 156.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 72' ' ' VAL . 97.0 mt 64.34 151.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 86' ' ' GLN . 38.1 tt0 -136.07 -62.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.5 mt-30 166.13 145.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HB2' ' HG3' ' A' ' 9' ' ' LYS . . . -77.48 161.73 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.45 42.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.536 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -175.66 126.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 116' ' ' PRO . 7.3 p -130.63 99.1 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.718 HD21 HD22 ' A' ' 159' ' ' LEU . 1.2 tp -77.33 89.14 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.468 ' O ' HD13 ' A' ' 119' ' ' LEU . 1.1 t80 -88.78 105.59 17.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.42 ' HE3' ' HB2' ' A' ' 93' ' ' MET . 3.0 ptm -96.22 162.03 13.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.568 HG22 ' HG2' ' A' ' 120' ' ' PRO . 35.5 m -136.47 176.24 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' GLY . 2.9 t0 -119.3 114.74 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' ASP . . . 36.97 -150.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 129' ' ' ASP . 10.6 t -83.8 2.45 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 p -78.82 87.25 4.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.3 m -104.28 69.51 0.93 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -166.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -92.69 37.34 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.7 p -116.73 -35.67 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.568 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.13 -48.68 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -75.01 -2.83 13.05 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -102.88 -9.17 20.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.94 -0.37 14.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.4 ' CD1' ' HG3' ' A' ' 139' ' ' GLU . 4.0 tt -92.75 -7.45 10.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.471 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -64.98 -55.74 25.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 108.02 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.0 Cg_endo -75.02 55.57 3.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -169.3 -45.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.159 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.603 ' CE1' HG23 ' A' ' 140' ' ' VAL . 13.3 t80 -39.67 -41.74 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -101.33 113.21 36.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 172.15 -178.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -105.42 -18.14 14.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 89' ' ' ARG . 1.5 pt? -81.65 141.91 48.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.553 ' O ' HG12 ' A' ' 90' ' ' VAL . 18.8 Cg_endo -74.92 -179.67 5.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -145.13 130.81 18.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.439 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.3 OUTLIER -103.33 124.11 48.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 92' ' ' PHE . 3.3 mm? -116.49 134.46 22.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.568 ' HG2' HG22 ' A' ' 94' ' ' VAL . 18.5 Cg_endo -74.98 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.044 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.43 HD11 ' O ' ' A' ' 145' ' ' LEU . 57.2 mt -141.74 -49.38 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.416 HG22 ' CG1' ' A' ' 124' ' ' VAL . 2.5 m 69.64 74.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.634 1.209 . . . . 0.0 110.379 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.555 HG13 ' N ' ' A' ' 124' ' ' VAL . 9.1 p -56.62 -56.18 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.555 ' N ' HG13 ' A' ' 123' ' ' VAL . 17.8 m 34.15 -147.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.208 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.461 ' N ' HG23 ' A' ' 124' ' ' VAL . 6.6 mtt85 -61.57 114.42 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.543 ' HA ' HG21 ' A' ' 130' ' ' ILE . 2.1 p-10 -69.72 59.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.521 1.138 . . . . 0.0 109.368 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -78.59 -173.71 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.253 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.21 55.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' CG ' HG21 ' A' ' 97' ' ' THR . 30.8 m-20 -149.97 -45.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.596 1.185 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.543 HG21 ' HA ' ' A' ' 126' ' ' ASN . 1.0 OUTLIER -39.32 -33.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.419 ' N ' ' C ' ' A' ' 129' ' ' ASP . 6.7 m -83.66 -52.68 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -62.33 -11.56 34.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 129' ' ' ASP . 25.2 tp10 -99.22 -52.94 3.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.5 m -41.63 -43.4 2.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -31.55 12.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -51.75 -42.83 53.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.87 61.76 3.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.47 43.67 1.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 139' ' ' GLU . 5.1 pt-20 -102.65 102.82 13.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.603 HG23 ' CE1' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 72.33 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -81.76 114.02 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.95 -110.6 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.85 -67.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 0.731 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.564 ' HB1' HD12 ' A' ' 146' ' ' ILE . . . -109.74 -34.8 6.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.43 ' O ' HD11 ' A' ' 121' ' ' ILE . 28.8 mt 45.87 71.17 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.564 HD12 ' HB1' ' A' ' 144' ' ' ALA . 42.7 mt -129.72 147.33 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 168.81 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.233 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.32 -177.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.44 156.58 44.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.04 -84.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -61.55 -71.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 152' ' ' THR . 32.6 m -72.32 60.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.448 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -54.14 98.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.33 -51.37 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 0.761 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.519 ' O ' HG22 ' A' ' 158' ' ' VAL . . . -127.23 73.92 0.44 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.553 1.158 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.599 HG11 ' HB1' ' A' ' 26' ' ' ALA . 6.1 t -95.45 -23.88 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 160' ' ' ARG . 3.1 p30 -73.39 -44.15 59.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.612 1.195 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 155' ' ' GLY . 28.0 m -40.3 -42.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.718 HD22 HD21 ' A' ' 91' ' ' LEU . 1.5 mt -68.06 -47.32 68.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 157' ' ' ASP . 1.0 OUTLIER -51.28 -55.78 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -50.41 -44.06 54.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.423 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 46.5 m-70 -94.2 50.19 1.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.24 -50.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.62 1.2 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 -14.75 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.92 -32.39 61.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -65.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.434 ' HB3' ' CB ' ' A' ' 8' ' ' MET . 3.0 mmm -146.07 157.63 43.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -171.13 -46.48 0.04 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -35.12 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 0.752 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -57.8 136.87 57.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -167.68 -48.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.595 1.184 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m -87.86 -64.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.76 69.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 tp -164.35 -53.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 71.8 147.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.3 119.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.96 175.89 20.57 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.444 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER 175.1 -176.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' CB ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -120.08 160.12 23.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.237 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG21 HD11 ' A' ' 163' ' ' LEU . 7.7 p -136.13 108.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.597 HG13 HG22 ' A' ' 90' ' ' VAL . 8.7 p -88.8 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.809 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -133.38 129.95 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.65 130.65 53.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.54 143.55 8.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.26 157.12 0.13 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 0.747 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.43 5.14 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.817 . . . . 0.0 111.054 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.643 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER 169.63 164.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 79.9 58.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.0 -107.43 2.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptm 71.58 -77.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.407 0.71 . . . . 0.0 109.244 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.7 p -72.97 -35.95 67.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.466 ' HB3' ' HB1' ' A' ' 150' ' ' ALA . 0.5 OUTLIER -47.45 -55.5 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.508 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.83 -40.29 79.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.366 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.832 HD21 ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -48.54 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -43.52 -66.2 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.448 ' HB1' HG21 ' A' ' 156' ' ' VAL . . . -45.16 -53.77 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.73 -59.47 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' ARG . . . 112.52 -50.8 0.74 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 6.9 mtt180 -38.86 112.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 0.751 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -38.87 -58.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.56 99.48 10.77 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.44 168.25 10.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.03 127.22 67.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.6 t -121.94 127.15 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.8 p -125.64 120.38 30.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.396 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.0 105.52 16.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.583 HD13 ' N ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -168.28 145.73 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.583 ' N ' HD13 ' A' ' 38' ' ' ILE . . . -83.7 60.49 5.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.96 -44.85 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 41' ' ' THR . 52.0 m 51.48 49.24 21.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.436 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -40.3 142.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.41 -12.17 60.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.61 -2.69 54.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.701 HG11 ' O ' ' A' ' 63' ' ' ALA . 69.8 t 66.56 -68.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' ASP . 12.1 tp -38.36 101.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -137.38 17.36 2.94 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.832 ' HA ' HD21 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -125.02 52.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.8 m80 45.41 -169.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.581 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 tp -123.14 144.02 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -105.21 101.08 10.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.95 121.35 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -55.83 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.2 -55.92 27.51 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.151 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.21 162.71 21.56 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.73 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.999 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 43.11 37.68 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -117.14 102.06 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.58 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.54 143.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 8.2 mt -124.06 -66.36 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.313 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 60' ' ' ILE . 1.5 m-20 81.52 97.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 9' ' ' LYS . 53.7 m -45.79 -48.91 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.4 1.063 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.701 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 61.5 -162.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.77 -85.74 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.39 137.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.1 mtt85 61.21 -90.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.36 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 72' ' ' VAL . . . -47.34 -33.93 6.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.7 m -81.34 52.31 1.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.062 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -166.67 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -33.24 74.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.635 HG11 ' HB2' ' A' ' 63' ' ' ALA . 13.8 m -64.65 -17.53 21.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.178 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.57 -34.17 12.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -70.31 -44.76 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.96 -40.21 88.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 77' ' ' ILE . . . -86.7 6.54 82.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.567 1.167 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.405 ' CG1' ' C ' ' A' ' 76' ' ' GLY . 1.2 pt 39.82 85.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -161.01 87.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.05 -176.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.66 -54.69 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.16 103.34 8.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 108.007 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -93.12 -75.83 0.49 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -174.64 -78.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER 62.13 141.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -102.86 170.8 7.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.115 . . . . 0.0 110.257 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -102.82 128.6 49.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.33 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.87 54.07 0.99 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 175.73 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.682 HG11 ' HG2' ' A' ' 110' ' ' GLU . 53.4 t -103.0 134.49 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 118' ' ' LYS . 14.9 tp -137.61 113.96 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -111.17 122.91 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.71 154.96 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -149.68 142.95 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.06 -66.93 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.31 -75.2 0.2 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.517 1.136 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.726 HG22 ' O ' ' A' ' 97' ' ' THR . 3.2 m -103.76 41.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 0.81 . . . . 0.0 110.389 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.3 p -123.05 141.56 51.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.376 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.6 m -141.9 146.46 35.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 110.435 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 103' ' ' ASP . 0.2 OUTLIER -167.2 -167.37 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.94 17.46 24.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.25 -29.33 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.587 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.79 -47.7 3.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.186 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.1 -11.32 21.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -90.85 59.33 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 0.9 OUTLIER 171.96 -32.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.41 ' CG1' ' HA ' ' A' ' 104' ' ' PRO . 2.3 pp -77.68 -39.58 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.535 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -56.99 -59.74 11.69 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.046 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 54.68 3.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.438 1.757 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.682 ' HG2' HG11 ' A' ' 90' ' ' VAL . 1.2 tp10 -146.97 -60.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.509 ' HB2' HG21 ' A' ' 140' ' ' VAL . 3.3 t80 -37.1 -40.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.17 . . . . 0.0 111.083 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 41.8 mm -69.29 78.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.743 ' HB1' HD21 ' A' ' 115' ' ' LEU . . . -172.92 162.52 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.88 61.14 1.8 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.743 HD21 ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -156.02 142.03 12.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.3 Cg_endo -75.05 142.39 27.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.779 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.72 120.32 21.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.418 ' HB2' ' CD1' ' A' ' 91' ' ' LEU . 1.4 mtmm -84.11 170.64 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.7 tp -141.39 117.19 7.25 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 109.384 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.2 Cg_endo -75.01 131.48 14.33 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 134' ' ' THR . 27.3 mm -109.34 137.38 41.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.433 ' O ' HD13 ' A' ' 130' ' ' ILE . 14.8 t -76.08 162.54 27.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.41 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 123' ' ' VAL . 7.3 p -149.16 42.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.689 HG22 ' HD3' ' A' ' 125' ' ' ARG . 11.8 p -85.29 78.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.689 ' HD3' HG22 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 35.48 -152.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.408 ' N ' ' CG ' ' A' ' 125' ' ' ARG . 15.7 t-20 -50.18 -72.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.517 ' HB3' HG13 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 39.93 83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 44.42 27.28 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER 64.68 128.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.573 1.17 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.8 ' O ' HD12 ' A' ' 130' ' ' ILE . 1.8 pp -106.4 54.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.232 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 57.3 m -140.61 -63.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -38.75 -49.94 2.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.97 -49.3 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 0.805 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.469 HG23 HD12 ' A' ' 121' ' ' ILE . 11.0 m -39.85 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.78 -15.59 61.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.64 -45.72 82.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.1 ptp -86.12 60.8 6.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 0.757 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 36.5 p -103.63 36.45 2.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -42.91 -54.57 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 111' ' ' PHE . 54.0 t -121.9 146.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -63.92 79.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -48.13 135.23 17.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -43.9 -49.88 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.507 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -160.08 167.96 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 46.2 mt -126.27 110.79 13.82 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 13.0 mm -136.18 139.27 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -80.26 148.14 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.1 tp -132.06 136.31 47.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.508 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 28.8 t -109.54 -33.88 6.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.952 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 72.35 -61.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -41.15 -62.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 5.4 t -107.99 17.39 22.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 39.92 68.44 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.51 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -121.12 42.49 1.69 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.448 HG21 ' HB1' ' A' ' 26' ' ' ALA . 2.2 p -70.76 -11.5 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.53 -29.57 17.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 33.4 t -66.2 -37.54 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 16.3 mt -91.84 21.6 4.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -123.79 -41.93 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -70.37 -57.08 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -61.66 -27.19 68.51 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.617 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 10' ' ' VAL . 2.8 tt -67.88 -49.37 62.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.05 -25.59 65.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.594 1.183 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -45.55 61.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 13.9 t -49.66 -44.53 47.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.1 mtm -52.68 104.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 -177.05 21.97 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 5.7 mt -64.85 144.77 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.501 0.765 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.432 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 1.0 OUTLIER 82.41 152.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.11 -9.46 12.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.614 1.196 . . . . 0.0 109.378 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -50.02 94.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.958 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -125.15 -61.93 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.45 -174.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.61 141.22 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -118.0 170.34 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.01 120.97 0.55 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.25 163.28 38.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.857 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -109.51 157.24 19.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.344 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.716 HG11 HD21 ' A' ' 163' ' ' LEU . 9.8 p -143.3 145.96 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.734 HG13 HG22 ' A' ' 90' ' ' VAL . 8.0 p -117.26 147.87 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.434 HD12 ' OE1' ' A' ' 48' ' ' GLU . 2.9 mt -129.0 73.53 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.59 160.38 28.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.94 168.57 24.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.56 ' HD2' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -71.07 155.87 92.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.288 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.48 34.12 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.44 75.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.4 1.062 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.56 ' HB2' ' HD2' ' A' ' 15' ' ' ARG . . . -152.15 -48.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.5 68.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -116.19 -40.22 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -67.43 -55.65 12.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.967 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m -57.75 -44.61 86.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.0 -48.25 73.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 tp -50.44 -49.92 53.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -44.2 -53.73 6.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.8 -60.15 4.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.753 HD11 ' CD1' ' A' ' 163' ' ' LEU . 1.2 tt -76.36 69.56 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . 178.09 -65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.48 -117.67 2.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 39.27 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.53 -40.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -62.38 -72.73 0.12 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 71.01 95.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -124.92 123.89 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.2 p -110.66 152.56 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.2 p -106.61 136.99 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 110.436 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -97.76 71.99 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.9 153.29 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.34 -43.89 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -40.31 127.68 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 p -77.32 111.92 13.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.0 m -63.6 113.31 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.416 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -56.5 -39.97 74.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -63.87 -14.11 50.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 44' ' ' ASP . 25.4 t 67.74 -60.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 60' ' ' ILE . 14.1 tp -38.32 98.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -138.26 14.99 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' OE1' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -118.79 53.26 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.1 m170 46.47 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.629 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.729 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -135.51 88.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -51.46 99.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.578 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 55' ' ' MET . 2.4 mp -63.6 -83.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 52' ' ' ILE . 3.2 t70 77.35 -60.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.61 -96.46 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.766 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.3 OUTLIER -115.83 159.38 39.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.505 0.767 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -36.21 2.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.454 1.765 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.78 72.91 4.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -156.35 117.78 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.582 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.67 122.72 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.541 ' O ' HD22 ' A' ' 46' ' ' LEU . 10.2 mt -109.63 152.39 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -141.83 112.94 7.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.256 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.857 HG22 ' HB2' ' A' ' 9' ' ' LYS . 75.8 p -83.92 67.63 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' CB ' HG21 ' A' ' 84' ' ' ILE . . . -54.0 174.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.33 -58.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.579 1.174 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.9 165.44 11.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.384 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -53.57 -51.1 64.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.35 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.74 -62.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 72' ' ' VAL . . . -46.25 -57.99 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.47 -32.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -89.78 -49.95 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.39 1.056 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.55 -50.64 52.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 68' ' ' ALA . 25.9 m -54.65 -49.54 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' N ' HG23 ' A' ' 72' ' ' VAL . 5.7 mm-40 -57.7 -24.51 57.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.365 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -75.48 -34.57 60.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 110.236 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.1 mm -75.89 -31.04 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.13 8.05 80.05 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 77' ' ' ILE . 28.0 mm 50.14 63.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -174.44 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -77.67 156.36 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.75 -58.32 8.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -91.86 114.6 27.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -166.43 134.33 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -69.8 144.37 52.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.412 HG21 ' CB ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -142.13 128.85 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.234 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -41.55 154.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.69 175.84 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.393 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.3 135.27 38.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.889 ' C ' HD12 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -122.61 -54.11 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 166' ' ' SER . 58.2 mtt180 -125.87 137.35 53.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.734 HG22 HG13 ' A' ' 11' ' ' VAL . 3.0 t -111.03 148.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.52 HD22 ' C ' ' A' ' 90' ' ' VAL . 1.6 mm? -114.74 68.98 0.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.374 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CE1' HG12 ' A' ' 107' ' ' ILE . 5.3 t80 -62.83 107.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 mmt -98.3 121.61 40.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 96' ' ' GLY . 20.9 t -131.72 135.1 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.58 -36.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.703 ' H ' HG12 ' A' ' 94' ' ' VAL . . . 81.85 29.25 39.24 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.7 m -155.81 -47.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 98' ' ' THR . 3.7 t -97.58 117.97 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.9 m -111.38 71.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.392 1.058 . . . . 0.0 110.393 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -65.33 178.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.58 3.82 42.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.574 1.171 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.444 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 23.7 t -99.39 -30.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -54.1 -51.68 75.21 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.05 -11.48 21.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.582 1.833 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 102' ' ' VAL . . . -75.54 -9.05 58.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.71 8.23 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.249 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -109.6 -34.64 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.213 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.472 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.77 -56.57 9.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 107.998 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 109' ' ' PRO . 3.3 mt-10 -166.63 -50.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.353 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -39.73 -46.59 1.91 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.736 HD13 ' C ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -84.45 96.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -170.87 -164.4 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.3 51.96 1.84 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.889 HD12 ' C ' ' A' ' 88' ' ' ASP . 0.3 OUTLIER -151.87 142.68 15.32 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 158.58 41.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 111.006 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.51 164.56 27.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -115.26 145.46 42.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.37 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 145' ' ' LEU . 0.3 OUTLIER -144.36 118.56 5.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.3 Cg_endo -74.96 147.3 33.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 122' ' ' THR . 12.6 mm -75.24 -125.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.645 HG23 ' HB ' ' A' ' 130' ' ' ILE . 1.5 t -177.35 138.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.442 ' HA ' ' CD1' ' A' ' 130' ' ' ILE . 11.1 p -148.74 36.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.235 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.9 m -112.88 175.64 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 50.49 -161.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -61.46 -178.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -94.91 -50.99 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.8 75.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.15 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.645 ' HB ' HG23 ' A' ' 122' ' ' THR . 3.4 pt -93.09 22.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -115.61 -49.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.64 -66.55 2.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.068 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -42.04 -42.92 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 0.808 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.8 m -47.06 -80.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.452 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.85 -41.06 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.47 -45.25 29.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 95.57 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.9 t -149.76 52.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -62.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.27 147.44 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -51.79 -46.79 64.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 64.13 145.92 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 162' ' ' HIS . 22.8 t-160 -96.21 -54.94 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -107.67 150.14 27.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 119' ' ' LEU . 4.0 mt -143.44 60.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 9.8 mm -122.32 135.93 60.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.431 ' HA ' ' CB ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -70.63 179.81 2.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 110.345 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.59 HD13 HD12 ' A' ' 159' ' ' LEU . 0.3 OUTLIER 179.81 154.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 153' ' ' GLY . 6.0 p -133.66 100.91 4.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.012 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.58 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -43.49 -60.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 10.0 t -126.91 15.97 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 50.61 71.55 0.62 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -60.75 2.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.312 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.2 69.45 0.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.493 HG22 HD11 ' A' ' 148' ' ' LEU . 39.0 t -88.68 -32.08 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.16 47.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.59 HD12 HD13 ' A' ' 148' ' ' LEU . 7.3 mt -152.4 -48.87 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -19.69 45.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 164' ' ' LYS . 63.5 m-20 -71.66 -70.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 143' ' ' HIS . 3.4 m-70 -40.07 -48.72 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.609 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.753 ' CD1' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.55 -48.04 48.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 161' ' ' ASN . 0.0 OUTLIER -87.12 47.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -145.67 -46.55 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.241 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 89' ' ' ARG . 60.1 p -70.12 -22.16 63.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 19.7 ptt? -58.76 132.74 54.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -98.55 158.38 20.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.1 pt -76.95 96.7 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.769 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.92 169.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.556 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.86 87.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 12.8 t0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.178 . . . . 0.0 109.29 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.28 127.31 47.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 0.741 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 tp -132.06 62.07 1.65 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.4 mt -146.12 -67.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 64.22 132.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 168' ' ' GLY . 0.0 OUTLIER -120.83 166.44 13.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.2 115.16 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.481 ' CB ' ' HB3' ' A' ' 167' ' ' MET . 0.0 OUTLIER 176.87 135.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.891 ' HB3' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -107.22 -162.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.427 ' CG1' ' C ' ' A' ' 9' ' ' LYS . 1.4 m -150.75 -174.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.683 HG12 HG22 ' A' ' 90' ' ' VAL . 9.4 p -135.05 128.74 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.774 HG22 ' HG ' ' A' ' 91' ' ' LEU . 2.6 pp -129.9 113.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -147.03 159.36 43.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.01 -166.14 33.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 135.55 1.36 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 146.68 33.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.1 t30 42.19 64.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.98 32.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' O ' HD13 ' A' ' 23' ' ' LEU . . . 95.27 60.57 1.05 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.112 . . . . 0.0 111.046 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 -64.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 0.811 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -59.58 4.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.87 -37.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 150' ' ' ALA . 0.4 OUTLIER -60.93 -56.88 15.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.393 1.058 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -48.01 -54.38 13.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -43.1 -50.62 6.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.7 -58.94 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.507 HD11 HD22 ' A' ' 163' ' ' LEU . 5.0 tp -50.99 -66.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -45.92 -59.08 3.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.371 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.31 59.41 7.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.572 1.17 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -115.58 115.42 26.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.384 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -39.28 111.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.84 90.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.28 -178.93 4.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 34' ' ' ILE . 1.9 tt -138.63 110.48 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.193 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.0 133.33 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.5 p -112.11 173.02 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -131.02 81.93 2.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.518 HG21 ' HD2' ' A' ' 47' ' ' ARG . 10.7 tp -61.18 143.34 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.27 -58.38 1.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.75 38.91 3.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.533 HG22 ' H ' ' A' ' 42' ' ' THR . 1.7 m 42.6 -157.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 0.736 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.533 ' H ' HG22 ' A' ' 41' ' ' THR . 54.6 m -141.34 141.67 33.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -47.9 84.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.588 ' HB3' HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -76.41 -4.83 44.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 44' ' ' ASP . 7.7 p 43.22 31.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -107.63 76.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.323 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.518 ' HD2' HG21 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -112.72 11.47 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' HIS . 25.5 mm-40 -106.7 23.64 13.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 48' ' ' GLU . 60.8 m80 46.65 -173.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.535 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.762 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -139.46 149.16 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.471 ' CE1' ' NH2' ' A' ' 160' ' ' ARG . 6.7 t-80 -125.75 140.93 52.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.585 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 tp -142.71 97.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 109.261 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.07 95.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.7 -128.87 6.01 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -46.64 120.17 5.91 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -22.25 14.96 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.463 1.77 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.9 70.7 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -157.21 135.22 10.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.59 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.5 mm -139.75 114.47 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 61' ' ' ASP . 9.3 mt -95.46 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.611 ' OD1' HD11 ' A' ' 84' ' ' ILE . 3.5 p-10 -144.67 148.71 34.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.891 HG22 ' HB3' ' A' ' 9' ' ' LYS . 43.3 p -110.72 69.0 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.467 ' HA ' HG21 ' A' ' 72' ' ' VAL . . . -51.61 -96.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.55 55.01 19.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.24 163.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -24.74 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -93.3 -49.43 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -55.76 -39.27 70.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.619 1.199 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 t -47.55 -33.56 6.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -80.61 -67.39 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.85 -23.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 68' ' ' ALA . 4.7 t -67.5 -43.56 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -36.64 79.74 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -66.65 0.42 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.35 -23.98 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.97 4.82 84.87 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.4 mm 50.94 64.0 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.09 -178.68 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 110.215 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 81' ' ' TRP . 2.3 mtm180 -97.43 134.58 40.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.358 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.42 66.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.383 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -155.36 -53.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -46.08 128.98 9.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -56.29 178.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.611 HD11 ' OD1' ' A' ' 61' ' ' ASP . 5.2 tp -155.73 119.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' HG2' ' CE1' ' A' ' 170' ' ' HIS . 1.1 mm-40 -53.15 132.19 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -88.28 156.49 19.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.92 171.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.499 ' OD1' ' CE ' ' A' ' 167' ' ' MET . 41.9 m-20 -156.88 -53.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.8 tpt85 -100.93 148.77 24.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.683 HG22 HG12 ' A' ' 11' ' ' VAL . 91.8 t -139.8 161.79 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.774 ' HG ' HG22 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -165.4 103.69 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.564 ' CG ' ' O ' ' A' ' 92' ' ' PHE . 35.3 p90 -107.42 107.85 18.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 150.97 43.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.85 130.06 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.27 103.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.211 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 37.82 -128.44 1.49 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.864 HG23 HG21 ' A' ' 122' ' ' THR . 37.5 p -110.99 78.58 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.8 p -123.11 121.21 35.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.424 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 m -107.27 107.12 17.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.31 176.73 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.36 -17.9 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.9 p -94.46 2.61 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.53 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -75.66 -51.19 3.17 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -74.99 1.02 8.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.446 1.761 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -47.8 -31.03 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -149.15 57.87 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' A' ' 104' ' ' PRO . 62.8 mt -131.11 -61.11 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.502 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.4 OUTLIER -40.92 -53.92 5.79 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -75.0 -160.76 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 113' ' ' ALA . 6.8 mm-40 68.3 -68.74 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.551 ' CG ' HG11 ' A' ' 140' ' ' VAL . 7.7 t80 -46.71 -26.22 0.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.3 pt -68.44 -39.16 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.673 ' HB3' ' CD2' ' A' ' 115' ' ' LEU . . . -63.31 -172.46 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 114' ' ' ARG . 4.0 ttm105 -101.57 66.77 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.673 ' CD2' ' HB3' ' A' ' 113' ' ' ALA . 2.2 pt? -169.7 112.71 0.49 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 154.84 42.97 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.448 1.762 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -122.26 147.89 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.881 ' HG2' ' HB3' ' A' ' 144' ' ' ALA . 17.1 mttp -83.73 156.92 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.584 HD23 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -116.81 131.17 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.584 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.3 Cg_endo -74.99 162.77 36.59 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.556 HD13 HG23 ' A' ' 134' ' ' THR . 1.2 mm -133.85 122.93 43.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.864 HG21 HG23 ' A' ' 97' ' ' THR . 9.9 t -78.13 140.96 39.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 123' ' ' VAL . 14.8 p -148.07 51.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 125' ' ' ARG . 1.6 p -145.65 -169.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.692 ' H ' HG22 ' A' ' 124' ' ' VAL . 7.4 ptp180 41.45 -161.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.74 174.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -101.98 -35.76 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.89 -31.57 50.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.63 -45.97 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.57 ' HA ' HG23 ' A' ' 122' ' ' THR . 4.3 mt -45.16 -32.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 132' ' ' GLY . 13.1 t -102.9 -24.69 13.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 131' ' ' THR . . . -35.66 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.4 49.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.556 HG23 HD13 ' A' ' 121' ' ' ILE . 47.2 m -115.9 -49.98 2.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.35 -39.41 20.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -88.21 42.84 3.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.97 81.89 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 139' ' ' GLU . 0.5 OUTLIER -43.5 -82.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.969 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 140' ' ' VAL . 0.6 OUTLIER 37.93 84.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.794 HG23 ' N ' ' A' ' 141' ' ' ASN . 1.1 m 38.23 -157.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.794 ' N ' HG23 ' A' ' 140' ' ' VAL . 4.4 p-10 -104.11 101.17 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -55.32 144.7 32.42 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.108 . . . . 0.0 110.961 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -102.18 -37.33 8.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 109.624 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.881 ' HB3' ' HG2' ' A' ' 118' ' ' LYS . . . -143.51 122.66 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.445 HD22 ' HB2' ' A' ' 119' ' ' LEU . 2.1 mm? -111.48 79.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.495 ' CD1' ' HB1' ' A' ' 144' ' ' ALA . 3.4 mp -115.6 162.5 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.437 ' N ' HG22 ' A' ' 146' ' ' ILE . 0.2 OUTLIER -120.14 170.03 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -173.9 154.01 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 151' ' ' ARG . 11.8 t -115.7 -0.14 13.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.502 ' HB2' HD12 ' A' ' 23' ' ' LEU . . . 64.77 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.2 OUTLIER -39.95 -50.6 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 11.1 m -83.13 -60.88 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 107.63 39.84 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 154' ' ' GLU . 4.7 pt-20 -81.99 67.59 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 123.03 59.77 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 159' ' ' LEU . 54.0 t -116.16 -58.5 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.85 -42.59 58.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.401 ' H ' HG12 ' A' ' 158' ' ' VAL . 2.3 p -58.51 -24.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 156' ' ' VAL . 0.7 OUTLIER -91.43 -34.22 14.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.471 ' NH2' ' CE1' ' A' ' 51' ' ' HIS . 25.8 ttt180 -62.59 -26.49 68.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -74.67 -42.15 58.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -70.31 -11.57 61.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.524 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 91' ' ' LEU . 1.1 mp -91.02 8.25 36.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.05 -46.7 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -33.6 55.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 6.0 p -46.7 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.499 ' CE ' ' OD1' ' A' ' 88' ' ' ASP . 4.3 tpp -135.05 115.2 13.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.075 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' GLU . . . -113.41 -84.73 1.34 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.7 mt -41.39 120.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.467 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 55.9 t60 -178.52 124.29 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.67 138.56 22.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 9.0 t70 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 56.62 107.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.995 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD23 HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -105.41 -52.97 2.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.365 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.459 HD12 HD23 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -89.69 134.94 33.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.1 106.9 8.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -176.94 6.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.02 134.89 3.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttp -173.69 142.66 0.94 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CD ' ' HA ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -101.36 162.96 12.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.6 p -127.6 158.7 38.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.199 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.676 HG13 HG23 ' A' ' 90' ' ' VAL . 10.8 p -120.41 138.55 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.3 mt -132.5 77.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.78 156.99 17.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 154.33 160.73 10.0 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.436 1.085 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HG3' ' CG1' ' A' ' 102' ' ' VAL . 15.6 ttt180 -42.37 135.2 2.54 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.05 6.47 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.431 1.753 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 51.86 36.56 18.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.44 3.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.34 53.24 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.544 1.153 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.584 ' O ' HD13 ' A' ' 24' ' ' LEU . 7.9 pttt -98.16 -33.87 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -43.84 80.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB3' ' HB1' ' A' ' 150' ' ' ALA . 14.5 m -57.46 -61.51 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 2.9 tm? -53.8 -40.54 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -41.91 -76.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 26' ' ' ALA . 2.2 p-10 -49.72 -48.9 49.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.55 ' HB1' HG21 ' A' ' 156' ' ' VAL . . . -43.29 -49.79 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -89.23 68.54 8.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.07 -59.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.58 -44.85 1.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.679 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -45.99 114.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 7.2 mm-40 -38.39 -86.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -79.46 -78.01 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' HB2' ' HB3' ' A' ' 30' ' ' ARG . . . 73.84 -175.3 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.3 tp -140.67 143.58 28.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.682 ' O ' HG22 ' A' ' 36' ' ' THR . 5.1 p -159.17 164.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.723 HG23 ' N ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 82.95 -168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.723 ' N ' HG23 ' A' ' 36' ' ' THR . 5.9 m-20 60.04 41.63 17.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 mm -124.92 84.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.15 111.51 21.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 41' ' ' THR . . . 106.75 6.34 35.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 40' ' ' GLY . 5.6 p 43.09 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 110.42 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.573 HG23 ' H ' ' A' ' 44' ' ' ASP . 4.9 t -113.83 179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.066 . . . . 0.0 110.459 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 42' ' ' THR . 0.0 OUTLIER -92.88 8.74 38.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.573 ' H ' HG23 ' A' ' 42' ' ' THR . 77.2 m-20 -127.92 5.92 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.367 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG13 HG23 ' A' ' 62' ' ' THR . 14.8 p 39.31 32.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 61' ' ' ASP . 4.1 tp -120.36 73.84 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -113.0 -3.24 14.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.362 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.07 29.65 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.472 ' CE1' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 t-80 55.96 -155.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.403 1.064 . . . . 0.0 109.556 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.58 HD13 ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -167.53 108.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.58 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -57.53 141.57 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.684 HG21 ' HA ' ' A' ' 56' ' ' PRO . 2.1 pp -96.57 -42.62 12.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.158 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.583 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER 70.13 -62.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' N ' HD12 ' A' ' 52' ' ' ILE . . . -90.58 -99.68 1.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.64 128.94 44.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.684 ' HA ' HG21 ' A' ' 52' ' ' ILE . 18.4 Cg_endo -75.0 62.98 5.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 57' ' ' LEU . 0.2 OUTLIER -171.75 88.8 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.96 137.87 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.8 mt -103.41 146.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 9.3 mm -130.14 -70.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.413 1.07 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.751 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.2 OUTLIER 65.14 103.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.665 HG23 HG13 ' A' ' 45' ' ' VAL . 2.9 t -86.68 116.05 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.46 -96.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.245 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.4 25.68 56.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 tp -162.64 169.73 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -32.94 32.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.3 1.69 49.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.83 -32.89 13.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.25 -50.45 71.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 p30 -67.97 -24.42 65.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.81 -31.98 31.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.686 HG13 ' HB3' ' A' ' 61' ' ' ASP . 2.2 t -71.23 -31.28 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 81' ' ' TRP . 7.3 pt-20 -95.33 39.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.8 -46.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.5 tp -57.78 -29.06 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.39 11.24 59.87 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 9.5 mm 43.59 79.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 0.735 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -147.09 86.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 78' ' ' GLU . 0.6 OUTLIER 43.47 -166.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.355 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -145.09 54.49 1.21 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.425 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -176.38 69.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.065 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -148.19 151.5 35.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.88 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 tp -155.33 39.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 45.08 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.351 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.23 176.39 8.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.32 134.2 18.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.48 12.6 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER 175.19 135.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.763 HG21 ' OE1' ' A' ' 110' ' ' GLU . 4.0 p -125.9 147.7 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.74 102.43 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.491 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.2 OUTLIER -66.19 -164.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.7 mmm -137.14 -76.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.71 HG12 ' H ' ' A' ' 95' ' ' ASP . 2.0 t 57.51 -175.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.71 ' H ' HG12 ' A' ' 94' ' ' VAL . 2.3 t70 -118.33 -40.36 2.94 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.67 -54.11 0.77 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 t -127.91 32.32 4.96 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.566 0.803 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.2 m -128.8 142.95 50.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.389 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.7 t -134.1 137.78 44.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.86 -168.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -97.09 -23.38 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -95.52 -8.78 9.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.512 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.33 -52.13 4.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.1 Cg_endo -75.07 -20.11 17.03 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.502 1.791 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.33 2.64 43.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.96 -7.66 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.309 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 107' ' ' ILE . 0.2 OUTLIER -110.55 -12.6 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.563 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 4.4 m95 -63.47 -50.59 72.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -74.94 2.09 6.98 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.763 ' OE1' HG21 ' A' ' 90' ' ' VAL . 1.7 mm-40 -101.93 -51.86 3.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -37.76 -50.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.0 pt -75.59 83.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -165.38 161.28 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.44 -10.23 14.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 153.64 85.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.65 20.6 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -118.13 159.07 23.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -136.58 129.02 30.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' ' 92' ' ' PHE . 1.7 mm? -115.08 119.69 38.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.26 37.72 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.47 99.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.5 m -71.86 155.07 40.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 123' ' ' VAL . 8.5 p -125.37 98.55 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.478 HG22 ' H ' ' A' ' 125' ' ' ARG . 8.8 p -151.46 169.29 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.478 ' H ' HG22 ' A' ' 124' ' ' VAL . 8.2 mtt85 54.67 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 125' ' ' ARG . 74.8 m-80 -39.37 144.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -76.71 -16.27 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.33 -70.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -41.17 -55.47 2.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.815 ' CD1' HG21 ' A' ' 134' ' ' THR . 0.0 OUTLIER -84.22 86.27 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.629 HG22 ' N ' ' A' ' 132' ' ' GLY . 0.9 OUTLIER 174.63 -76.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 131' ' ' THR . . . -53.66 -34.31 50.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -51.08 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.767 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.815 HG21 ' CD1' ' A' ' 130' ' ' ILE . 25.2 p -45.88 -53.74 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.7 -52.33 21.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.218 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -44.48 -47.98 8.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.2 ttt -58.2 89.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.67 64.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -70.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 142' ' ' GLY . 8.1 p -97.43 147.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.38 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -67.43 116.26 7.79 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -46.39 -54.71 8.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 0.806 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -147.08 163.26 36.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 5.1 mp -143.89 119.27 10.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.7 pt -141.84 164.91 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -77.34 169.55 18.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.2 tp -150.51 152.49 34.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 0.5 OUTLIER -128.57 -44.04 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 74.05 -67.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -49.59 67.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.233 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 20.0 m -94.67 -43.52 8.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.35 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 123.97 -86.06 0.37 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 78.02 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 0.799 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -125.8 50.83 0.86 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.55 HG21 ' HB1' ' A' ' 26' ' ' ALA . 7.9 p -88.93 -8.08 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.34 -22.69 12.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.24 -65.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.409 1.068 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 4.1 pp -56.46 -26.51 54.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.495 ' HG3' HD12 ' A' ' 27' ' ' LEU . 5.4 ttt180 -68.58 -29.29 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -85.0 0.34 51.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.418 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 30.9 m80 -108.98 14.73 23.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.539 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -103.61 -43.51 5.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.375 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -63.07 -30.17 71.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -72.54 -43.2 63.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.36 79.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 61.3 mtp -40.83 121.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -89.56 146.68 19.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 6.0 mt -75.06 104.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -167.9 147.16 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.647 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -179.73 -58.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.82 129.77 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 110.015 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 4' ' ' LEU . 3.5 pp -88.92 154.11 20.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' HB2' HD12 ' A' ' 3' ' ' LEU . 6.6 mt 66.18 128.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -142.43 136.96 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -115.39 154.86 28.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.21 162.95 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.444 0.732 . . . . 0.0 111.025 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -127.01 116.82 21.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 89' ' ' ARG . 51.5 t -100.9 139.83 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.736 HG13 HG22 ' A' ' 90' ' ' VAL . 2.4 p -97.25 123.78 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.593 HD12 ' OE2' ' A' ' 48' ' ' GLU . 79.7 mt -101.99 91.07 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.44 162.9 13.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.29 -99.68 0.15 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.37 156.66 1.21 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 0.717 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.52 23.14 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.538 1.809 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.79 78.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.28 -42.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.5 53.71 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HE2' ' NH2' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -105.55 -54.34 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.0 p -76.02 -14.41 60.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.67 -50.67 11.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 22.6 mt -53.69 -38.22 64.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD21 ' HA ' ' A' ' 48' ' ' GLU . 1.4 mp -39.78 -70.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -70.47 61.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -165.93 -46.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.66 HD21 ' HB2' ' A' ' 159' ' ' LEU . 2.2 mt -94.82 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.22 -61.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.63 35.57 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' NH1' ' NE2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -83.46 -23.2 32.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.02 -62.3 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -103.22 78.78 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.99 -175.91 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.382 1.051 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -136.65 132.06 47.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -95.93 106.59 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.413 1.071 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.7 p -86.13 109.91 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.434 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 87.16 4.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 tp -134.32 157.26 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -101.08 -48.64 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.63 93.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 39' ' ' ALA . 3.2 m -45.31 124.37 4.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -59.62 132.4 53.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 mtt85 -75.16 -29.16 60.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.363 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.79 -10.64 58.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 62' ' ' THR . 47.6 t 69.7 -58.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.451 HD11 ' HB ' ' A' ' 50' ' ' ILE . 5.5 tp -37.65 98.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.6 -41.12 1.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.593 ' OE2' HD12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -75.08 56.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.438 ' NE2' ' NH1' ' A' ' 30' ' ' ARG . 10.5 t60 41.72 -162.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.451 ' HB ' HD11 ' A' ' 46' ' ' LEU . 2.1 tp -176.19 67.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.097 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.06 144.95 52.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.552 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.71 85.95 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 54' ' ' GLY . 1.5 p30 -45.14 -49.62 11.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . -37.57 -53.68 1.81 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 178.54 117.87 0.19 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 111.066 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.525 1.803 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.62 -48.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -101.1 167.54 10.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.572 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.4 mt -126.17 145.85 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CG2' ' HD2' ' A' ' 9' ' ' LYS . 6.7 mt -102.55 160.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.593 ' HB3' HG21 ' A' ' 72' ' ' VAL . 29.6 m-20 -111.43 113.69 26.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.471 HG23 ' HB2' ' A' ' 9' ' ' LYS . 95.8 m -96.53 56.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.05 -168.82 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.69 55.47 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 111.054 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 178.31 148.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.54 -47.4 28.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -58.56 3.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.32 -56.59 4.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.592 ' O ' HG12 ' A' ' 72' ' ' VAL . 25.1 t -40.81 -52.42 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.044 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.03 -50.74 53.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -47.42 -47.05 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.213 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 61' ' ' ASP . 9.7 p -72.66 -32.0 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.508 ' HG3' HD11 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -76.48 57.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.236 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.5 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.84 -10.32 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.56 24.42 9.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 10.1 mt 57.35 77.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.767 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -132.79 148.66 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.33 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -50.73 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.444 1.09 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -175.3 -49.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -146.28 132.62 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -139.14 -69.59 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.309 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' C ' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -175.93 118.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.508 HD11 ' HG3' ' A' ' 73' ' ' GLU . 3.8 mp -136.82 94.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -177.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.03 141.63 45.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.578 ' O ' HD22 ' A' ' 115' ' ' LEU . . . -44.2 135.56 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.03 15.78 21.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.552 ' HB3' HG22 ' A' ' 10' ' ' VAL . 1.0 OUTLIER -158.39 143.14 16.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.736 HG22 HG13 ' A' ' 11' ' ' VAL . 3.8 t -132.02 134.89 59.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD21 HD22 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -118.31 80.49 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -60.59 171.5 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 111.07 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.404 ' HA ' ' CG ' ' A' ' 120' ' ' PRO . 10.0 tpt -154.95 131.72 10.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.08 114.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -42.22 135.29 2.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.08 -23.75 2.91 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 42.2 p -73.7 -134.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.5 p -86.01 -154.44 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.6 p -117.54 -120.99 0.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.13 -179.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.64 -26.24 34.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.222 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 t -91.98 1.33 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.499 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -71.51 -52.84 8.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.05 -8.27 19.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.542 1.811 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.82 -30.87 67.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.32 19.4 18.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -105.45 -28.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.479 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -65.78 -55.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 107.994 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.502 ' HA ' HD11 ' A' ' 112' ' ' ILE . 18.3 Cg_endo -75.08 63.72 6.07 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -136.17 -61.65 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.687 ' HB3' HG23 ' A' ' 140' ' ' VAL . 53.1 p90 -86.78 38.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 109' ' ' PRO . 8.6 pt -129.21 39.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -168.1 148.69 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -68.51 79.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -174.06 138.48 0.7 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.469 ' CG ' ' NH2' ' A' ' 89' ' ' ARG . 18.2 Cg_endo -75.06 149.8 36.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.506 1.793 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -130.05 119.41 23.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.74 ' HB2' ' HB3' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -107.94 143.33 36.74 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.362 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.42 135.6 27.27 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.81 ' HB3' HD12 ' A' ' 148' ' ' LEU . 18.3 Cg_endo -74.98 158.07 42.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.518 HG22 ' N ' ' A' ' 122' ' ' THR . 85.6 mt -120.58 166.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.539 HG22 ' H ' ' A' ' 124' ' ' VAL . 98.2 m -69.74 142.11 53.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.447 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.435 ' O ' ' HB ' ' A' ' 124' ' ' VAL . 8.9 p -55.22 -16.48 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.157 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.539 ' H ' HG22 ' A' ' 122' ' ' THR . 1.9 t 68.4 134.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 166.77 -29.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -132.64 151.92 51.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER 76.39 56.02 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.367 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' LYS . . . 38.4 33.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 127' ' ' LYS . 19.2 m-20 69.5 130.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLY . 2.9 tp -54.21 -18.28 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.509 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.3 m -35.72 -33.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -67.13 -58.34 8.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -60.34 -62.66 1.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.447 ' CG2' ' N ' ' A' ' 135' ' ' LEU . 14.7 t -38.4 -51.08 1.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 131' ' ' THR . 9.0 mt -48.79 -49.66 37.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 133' ' ' GLU . . . -83.07 51.41 4.57 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.2 ttm -157.68 47.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.4 m -103.71 61.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -52.88 5.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.687 HG23 ' HB3' ' A' ' 111' ' ' PHE . 4.4 p -108.92 142.61 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -44.38 100.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -38.01 -57.34 1.68 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 116' ' ' PRO . 6.5 t-80 75.26 -58.81 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.578 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.74 ' HB3' ' HB2' ' A' ' 118' ' ' LYS . . . -136.14 133.83 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 144' ' ' ALA . 30.7 mt -132.97 90.78 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.9 mp -137.38 124.71 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -54.07 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' A' ' 120' ' ' PRO . 7.5 mt -150.48 163.74 37.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.68 ' O ' ' HB3' ' A' ' 150' ' ' ALA . 89.7 p -136.14 -45.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 149' ' ' SER . . . 83.77 -58.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -43.22 -54.72 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 75.6 p -127.62 26.78 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.581 ' CA ' HG13 ' A' ' 156' ' ' VAL . . . 39.71 85.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.402 ' N ' ' OG ' ' A' ' 149' ' ' SER . 18.7 tp10 -48.47 -52.7 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 0.735 . . . . 0.0 110.227 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -148.58 47.91 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 110.965 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.581 HG13 ' CA ' ' A' ' 153' ' ' GLY . 34.5 m -54.7 -44.21 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.402 0.707 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.431 ' OD1' HG23 ' A' ' 158' ' ' VAL . 0.5 OUTLIER -45.82 -55.15 6.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.431 HG23 ' OD1' ' A' ' 157' ' ' ASP . 53.5 t -41.76 -40.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.66 ' HB2' HD21 ' A' ' 27' ' ' LEU . 46.1 mt -68.31 -50.26 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.367 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -51.49 -45.09 62.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -54.18 -56.29 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -58.14 -25.47 61.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.577 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.72 43.44 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.47 -48.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -55.03 -46.16 75.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' A' ' 167' ' ' MET . 89.9 p -59.42 -84.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.401 ' N ' ' OG ' ' A' ' 166' ' ' SER . 10.0 mmt 48.74 -174.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.175 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -160.1 108.03 0.34 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.09 120.59 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.47 157.24 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -93.7 -55.28 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.59 -59.91 0.71 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 0.748 . . . . 0.0 110.032 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.58 93.54 4.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -133.88 -75.04 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER 82.0 144.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -143.33 -174.84 4.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.61 169.96 12.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.484 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER 179.46 -33.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' N ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER 75.65 106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 163' ' ' LEU . 78.6 t -103.0 144.58 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.78 126.03 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.491 HG22 ' HG ' ' A' ' 91' ' ' LEU . 5.8 pt -99.56 94.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.9 124.65 42.42 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.92 156.29 22.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 154.89 83.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.2 Cg_endo -75.06 145.83 31.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.3 t30 81.81 29.86 0.14 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' HB1' ' HB2' ' A' ' 95' ' ' ASP . . . -117.12 -40.92 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.8 -93.78 0.11 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.405 1.066 . . . . 0.0 111.021 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp 52.13 -94.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.3 m -39.33 -58.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 m -53.11 -44.02 67.33 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.489 1.118 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.561 HD13 ' SD ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -61.68 -65.53 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.614 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.1 tm? -42.61 -52.1 4.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -43.22 -49.39 6.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.52 -53.54 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -48.9 -66.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.18 -57.35 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.65 47.22 6.87 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -92.55 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -40.63 -54.97 2.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -114.66 -68.71 0.9 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 77.7 110.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.2 mt -78.95 147.34 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -115.61 128.18 72.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 t -124.78 136.73 54.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.404 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -128.98 81.46 2.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' ILE . 3.7 tp -111.47 135.52 50.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.36 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.7 -28.05 63.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.58 124.77 1.61 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.1 p -75.25 -7.45 53.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.2 m 59.96 116.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.416 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -64.81 -41.37 95.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -77.48 -1.93 32.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 46' ' ' LEU . 2.7 t 65.69 -71.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.618 HD23 ' H ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -39.34 118.8 0.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptt-85 -150.93 30.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' H ' HD13 ' A' ' 46' ' ' LEU . 1.3 pm0 -137.64 56.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.219 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 54.24 171.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.553 ' N ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -120.15 96.8 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -54.14 107.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -159.24 124.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -104.1 -30.79 10.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.41 -69.08 0.7 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.85 164.03 35.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.29 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.07 102.19 11.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.51 92.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mt -87.41 146.24 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' ASP . 1.9 pt -134.44 -49.9 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' CB ' HG13 ' A' ' 72' ' ' VAL . 12.4 m-20 60.77 123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.35 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.618 ' H ' HD23 ' A' ' 46' ' ' LEU . 2.7 t -84.02 110.65 18.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.891 ' HB3' ' OE1' ' A' ' 86' ' ' GLN . . . -62.36 -171.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.66 -134.41 1.65 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 65' ' ' LEU . 1.1 pt? -64.28 -170.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 0.805 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.86 -41.16 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.66 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 1.5 tp10 -87.98 175.89 7.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.897 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 81.15 -55.34 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -54.39 -48.66 71.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.34 -51.01 69.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -59.23 -36.29 75.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 68' ' ' ALA . 40.8 t -56.07 -37.0 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.66 -35.39 65.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.57 -69.54 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -44.83 -38.97 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.44 -172.64 38.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 77' ' ' ILE . 32.0 mt -112.27 50.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.54 141.32 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -43.96 157.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.02 61.64 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 66.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -154.47 138.51 16.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -48.13 174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.666 ' CD1' HG11 ' A' ' 72' ' ' VAL . 5.2 tt -155.16 -49.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 63.24 136.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.891 ' OE1' ' HB3' ' A' ' 63' ' ' ALA . 5.9 pm0 -171.97 -157.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.45 75.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -110.05 -35.29 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 166' ' ' SER . 1.5 mmp_? -141.64 151.27 42.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t -140.84 112.55 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.513 HD22 HD21 ' A' ' 163' ' ' LEU . 0.6 OUTLIER -101.85 92.83 5.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CZ ' ' OE2' ' A' ' 106' ' ' GLU . 6.4 t80 -68.92 133.68 48.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.561 ' SD ' HD13 ' A' ' 23' ' ' LEU . 86.0 mmm -96.2 93.52 6.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' ASP . 61.1 t -67.66 -41.03 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.486 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 1.6 t70 60.97 121.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.25 -162.68 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.426 ' HB ' HG21 ' A' ' 122' ' ' THR . 4.8 t -111.19 23.71 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.0 m -79.67 151.18 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 53.5 m -128.34 143.98 51.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.427 ' O ' ' CD ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -161.1 -172.75 3.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.99 26.7 3.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.409 ' O ' ' CD ' ' A' ' 106' ' ' GLU . 30.4 m -115.05 -30.13 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.625 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -74.39 -45.63 5.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -75.0 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -71.06 64.02 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' C ' ' HD2' ' A' ' 109' ' ' PRO . 7.4 pt-20 166.43 -27.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 104' ' ' PRO . 1.1 tt -77.18 -13.0 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.586 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.8 OUTLIER -67.72 -62.33 3.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.586 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.14 54.39 3.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -132.54 -55.7 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.466 ' HB3' HG11 ' A' ' 140' ' ' VAL . 41.9 p90 -87.2 40.66 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.8 pt -118.37 9.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -131.15 178.63 6.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.89 61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 116' ' ' PRO . 2.1 pp -142.12 141.79 22.57 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.625 ' O ' HD12 ' A' ' 115' ' ' LEU . 18.5 Cg_endo -74.99 163.84 34.57 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -144.22 138.99 28.43 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.62 137.78 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.551 ' N ' HD23 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -123.34 133.46 24.57 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 157.42 42.8 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.766 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.3 mt -104.37 142.01 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.725 ' O ' HG23 ' A' ' 130' ' ' ILE . 1.1 m -94.67 110.05 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 123' ' ' VAL . 7.1 p -125.68 67.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.52 118.96 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 60.28 146.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 63.73 167.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -139.72 -48.73 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.92 -64.22 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.28 -51.99 55.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 122' ' ' THR . 41.1 mm -44.1 -79.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 49.0 p -39.28 -44.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -50.68 -63.33 4.54 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -50.63 67.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 2.4 m -39.18 -64.24 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.3 mt -96.79 27.77 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -119.35 13.75 11.03 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -149.63 40.34 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.6 t -71.29 59.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -90.52 120.5 31.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 111' ' ' PHE . 81.5 t 63.11 122.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -52.84 97.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -73.13 128.95 12.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.16 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.509 ' O ' ' HB2' ' A' ' 144' ' ' ALA . 5.2 t-160 -41.85 -33.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 0.775 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 143' ' ' HIS . . . 175.4 177.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.6 mp -142.78 125.27 15.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.83 121.7 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 156.36 21.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.509 HD11 HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -169.41 -169.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 153' ' ' GLY . 31.4 t -157.29 99.5 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.04 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -43.25 -34.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -61.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.521 HG23 ' HG2' ' A' ' 154' ' ' GLU . 1.4 t -108.22 15.28 24.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 149' ' ' SER . . . 42.58 55.28 4.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.521 ' HG2' HG23 ' A' ' 152' ' ' THR . 4.9 mm-40 -50.6 -96.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -90.57 85.82 1.34 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 76.2 t -107.38 -56.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.412 0.713 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.5 -50.95 5.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 37.6 t -49.41 -54.27 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -48.73 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.772 ' HA ' HD12 ' A' ' 163' ' ' LEU . 62.4 ttt180 -48.12 -46.76 34.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -58.29 -40.54 82.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -18.73 65.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.629 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 160' ' ' ARG . 11.4 mt -89.98 -36.15 15.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -99.72 45.24 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -138.87 -48.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.445 ' HB2' ' CG ' ' A' ' 89' ' ' ARG . 41.6 m -87.43 10.68 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -70.73 176.07 4.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -125.69 140.04 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.92 168.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.66 176.5 0.28 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.549 1.155 . . . . 0.0 109.576 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.83 -174.43 4.7 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.51 1.132 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -99.93 95.96 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.66 77.34 9.83 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mm? 61.79 163.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.215 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -140.35 179.5 6.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -150.65 171.61 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA2' ' CG ' ' A' ' 167' ' ' MET . . . 149.44 146.92 4.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.49 -176.68 5.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 0.815 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.692 ' HZ2' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -123.44 121.17 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 163' ' ' LEU . 27.5 m -121.98 127.76 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p -97.99 147.07 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -132.72 86.48 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.05 125.21 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.5 93.71 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.18 118.0 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.95 127.84 11.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 1.1 t30 81.05 87.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.691 ' HB3' ' CE ' ' A' ' 93' ' ' MET . . . -169.11 31.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.29 54.88 31.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.584 ' HA ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -100.49 -29.64 12.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 0.809 . . . . 0.0 109.335 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.86 -52.35 30.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 109.995 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -46.0 -26.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.659 ' CD2' HD22 ' A' ' 148' ' ' LEU . 43.7 mt -72.86 -44.17 61.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.0 mp -50.4 -73.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -43.73 -59.36 2.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.18 -47.77 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.42 54.55 3.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.661 ' HB2' ' CE1' ' A' ' 49' ' ' HIS . . . -172.19 113.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.4 58.38 2.42 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.107 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -120.14 124.49 45.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 110.328 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -62.39 102.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 61.82 82.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.09 149.75 46.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.354 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 pt -85.11 128.9 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.9 p -102.25 141.04 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -119.26 158.82 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -145.95 86.63 1.72 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 tp -116.99 150.18 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.398 1.061 . . . . 0.0 109.382 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.9 -42.4 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.94 101.68 0.9 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.409 1.068 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -39.34 158.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.777 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.4 p -100.63 128.04 46.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -59.42 -36.77 76.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.224 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' LEU . 2.8 p30 -75.2 -11.58 60.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' O ' ' C ' ' A' ' 46' ' ' LEU . 65.8 t 69.29 -58.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 60' ' ' ILE . 35.5 tp -34.97 100.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.0 ttm-85 -131.89 11.12 4.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' HIS . 1.5 pp20? -131.79 39.49 3.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.661 ' CE1' ' HB2' ' A' ' 28' ' ' ALA . 28.0 p80 40.06 -159.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.463 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.1 mm -146.55 147.53 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -107.08 123.63 48.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.539 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.8 mt -144.87 122.66 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.3 92.05 4.04 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.576 1.173 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.09 -59.55 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.23 147.62 60.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -64.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.456 1.766 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.33 104.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.446 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -105.59 140.31 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.59 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.492 HG22 ' O ' ' A' ' 59' ' ' ILE . 67.3 mt -146.71 67.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.71 ' O ' HD22 ' A' ' 46' ' ' LEU . 52.8 mt -135.61 139.74 45.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.492 ' CG ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -138.02 120.51 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.624 ' O ' HG23 ' A' ' 62' ' ' THR . 8.4 t -78.85 84.64 4.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -68.76 -157.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.61 -61.94 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ALA . 4.1 tp -98.61 149.03 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -40.71 -45.39 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -58.58 -44.99 89.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . -61.49 -54.63 40.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.51 -42.71 23.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.24 -64.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -52.71 -44.86 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.809 HG21 ' HB2' ' A' ' 63' ' ' ALA . 2.6 t -46.34 -77.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.616 ' N ' HG12 ' A' ' 72' ' ' VAL . 13.8 pt-20 -50.85 -40.05 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.91 -54.83 29.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 71' ' ' GLU . 2.3 pt -66.72 -20.3 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -3.71 87.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.6 mt 68.59 70.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 73' ' ' GLU . 2.8 pt-20 -170.07 144.23 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.13 159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.64 -18.61 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -42.01 79.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 107.968 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -45.07 154.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -111.96 169.61 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 73' ' ' GLU . 3.2 mp -132.01 123.39 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.78 161.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.91 151.44 19.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.737 ' O ' HD11 ' A' ' 115' ' ' LEU . . . -41.32 143.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -93.59 -43.29 8.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 89' ' ' ARG . 2.0 ptp180 -168.74 158.34 9.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.445 HG21 ' OE2' ' A' ' 110' ' ' GLU . 53.9 t -115.99 158.29 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.85 HD13 HD21 ' A' ' 159' ' ' LEU . 0.8 OUTLIER -149.81 52.69 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.951 ' CE2' HD23 ' A' ' 119' ' ' LEU . 37.9 p90 -61.38 108.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.691 ' CE ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -77.67 166.87 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 111.01 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.2 m -133.37 -176.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.406 ' HB2' ' HB1' ' A' ' 18' ' ' ALA . 13.8 t0 -119.93 84.39 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.197 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.601 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 43.46 -150.83 0.51 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.666 ' CG2' HD13 ' A' ' 130' ' ' ILE . 60.5 p -75.05 59.78 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 0.736 . . . . 0.0 110.372 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.406 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 96.4 m -111.56 104.43 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.2 t -97.23 141.18 30.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.461 ' HB3' HG22 ' A' ' 102' ' ' VAL . 28.3 m-20 -161.2 172.47 16.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.19 -13.89 56.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' ' 100' ' ' ASP . 16.4 m -92.46 -0.7 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.5 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -74.6 -52.93 3.52 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.502 ' HA ' ' CG2' ' A' ' 107' ' ' ILE . 18.4 Cg_endo -75.0 -33.9 4.22 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' PRO . . . -39.96 -32.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 104' ' ' PRO . 20.3 mm-40 -117.03 53.06 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.502 ' CG2' ' HA ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -152.36 -46.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.466 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -42.86 -56.93 5.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.1 Cg_endo -75.03 57.09 4.47 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.445 ' OE2' HG21 ' A' ' 90' ' ' VAL . 5.9 tp10 -160.55 -46.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 1.3 t80 -48.69 -39.07 23.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.676 ' O ' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -97.09 99.25 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 112' ' ' ILE . . . 163.19 155.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.771 ' C ' HD22 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -85.83 50.77 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 114' ' ' ARG . 3.8 mm? -126.27 118.52 23.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.421 ' O ' ' NH1' ' A' ' 89' ' ' ARG . 18.1 Cg_endo -75.05 114.17 3.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.07 153.17 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.05 -77.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.951 HD23 ' CE2' ' A' ' 92' ' ' PHE . 2.2 tm? 67.11 94.91 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 165.99 30.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 121' ' ' ILE . 2.4 pp -120.96 148.5 24.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 130' ' ' ILE . 8.7 t -101.63 161.64 13.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.838 ' HA ' HG21 ' A' ' 130' ' ' ILE . 7.7 p -168.62 72.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 125' ' ' ARG . 12.9 p -174.39 166.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 124' ' ' VAL . 1.9 tmt_? 82.48 -51.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 128' ' ' ALA . 0.2 OUTLIER -122.0 -47.29 2.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 126' ' ' ASN . 10.4 mttp 68.06 -67.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 126' ' ' ASN . . . -50.73 -58.19 6.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.39 -42.28 98.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.838 HG21 ' HA ' ' A' ' 123' ' ' VAL . 25.8 mm -45.9 -56.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 8.8 m -42.05 -47.2 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.411 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -53.04 -58.55 11.38 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -46.69 86.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 4.3 m -41.47 -60.92 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.6 mt -51.86 120.92 5.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 52.34 63.04 5.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 3.1 mmt -40.11 -43.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.5 m -175.08 -77.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -163.85 -167.42 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 70.2 153.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -96.7 81.0 3.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -51.73 137.97 30.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -58.77 -57.32 13.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 0.73 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -143.46 151.2 40.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 16.5 mt -110.81 89.93 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 147' ' ' ARG . 3.3 mm -120.93 163.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.443 ' N ' HG22 ' A' ' 146' ' ' ILE . 5.8 ptt180 -108.88 165.5 11.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.659 HD22 ' CD2' ' A' ' 23' ' ' LEU . 2.0 mt -135.53 172.09 13.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.95 43.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . 62.27 -99.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.681 ' O ' HG23 ' A' ' 152' ' ' THR . 0.1 OUTLIER -114.43 99.15 7.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 151' ' ' ARG . 1.8 p -159.81 -45.45 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.349 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 105.23 20.62 9.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -59.44 -68.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -97.25 -28.88 8.27 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 13.0 t -49.9 -25.73 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.444 0.732 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -62.73 -55.0 30.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 5.4 m -77.96 -39.99 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.85 HD21 HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -42.87 -48.93 5.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.368 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -48.26 79.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -46.34 -60.96 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -58.31 -48.89 79.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 163' ' ' LEU . 0.7 OUTLIER -46.83 -43.15 18.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 166' ' ' SER . 0.6 OUTLIER -72.79 -47.11 49.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.01 60.14 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.476 ' O ' ' C ' ' A' ' 167' ' ' MET . 5.2 p -160.17 -41.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 166' ' ' SER . 0.0 OUTLIER -30.78 129.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -91.02 148.59 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 29.5 mm -46.54 150.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 27.3 t60 71.14 163.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.621 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -57.19 12.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p 56.31 166.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 77.61 -58.13 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 32.2 mt -69.28 146.36 52.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.11 145.96 46.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.76 168.7 10.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 107.46 0.25 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttp -132.41 146.54 52.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 0.812 . . . . 0.0 111.031 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.644 ' HB2' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -114.53 122.46 46.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG21 HD12 ' A' ' 91' ' ' LEU . 7.7 p -95.33 158.98 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.7 t -126.88 135.52 63.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG22 ' HB2' ' A' ' 20' ' ' LYS . 4.7 mp -137.46 97.65 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.21 162.66 31.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.53 99.28 0.95 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.474 1.108 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 61.49 157.34 0.11 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.541 0.789 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -99.43 104.57 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.09 -46.83 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.2 44.29 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HB2' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -110.51 -26.3 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -77.74 -55.48 5.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.48 1.113 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.8 m -61.94 -45.98 91.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.937 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 148' ' ' LEU . 0.2 OUTLIER -49.82 -61.28 2.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.681 HD21 ' C ' ' A' ' 48' ' ' GLU . 17.3 tp -39.4 -43.42 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' ALA . 27.4 m-20 -67.41 -49.7 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.68 ' HB3' HD13 ' A' ' 27' ' ' LEU . . . -39.45 -57.17 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -99.07 70.24 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 109.206 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -149.16 135.78 19.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.41 52.3 4.69 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.34 130.72 41.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.285 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.15 -58.8 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.75 99.87 11.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.58 163.49 18.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -151.65 144.72 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -108.05 163.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 t -150.24 146.19 26.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -76.87 -51.9 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 tp 40.3 81.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.53 -43.09 50.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.379 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.27 95.6 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 m -42.18 122.54 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 0.711 . . . . 0.0 110.421 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.748 HG23 ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -75.32 142.59 43.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.388 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -69.26 -43.54 73.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.5 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -69.5 -10.4 57.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.762 ' O ' HG13 ' A' ' 45' ' ' VAL . 1.6 p 32.99 45.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 46' ' ' LEU . 1.3 tp -124.89 36.92 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.7 37.63 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.681 ' C ' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -118.5 37.74 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 63.2 m80 47.44 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.631 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.791 HD13 HG21 ' A' ' 60' ' ' ILE . 3.9 tp -167.82 150.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -153.66 151.51 29.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.608 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.715 HG21 ' HB2' ' A' ' 58' ' ' HIS . 2.8 tt -157.33 108.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.78 -40.73 55.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -41.17 -90.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -115.82 129.46 25.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 110.909 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.38 4.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.566 1.824 . . . . 0.0 111.039 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.95 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.715 ' HB2' HG21 ' A' ' 52' ' ' ILE . 1.5 t60 -118.56 148.21 42.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.9 tt -116.89 109.36 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.791 HG21 HD13 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -97.69 169.01 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.86 ' HB2' HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -148.18 95.15 2.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 9' ' ' LYS . 32.3 p -84.06 63.48 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.23 -171.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -171.91 -54.19 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.445 HD23 ' OE1' ' A' ' 67' ' ' GLU . 5.9 tp -99.04 158.66 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.224 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 mtt85 -43.2 -52.66 5.49 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE1' HD23 ' A' ' 65' ' ' LEU . 10.7 pt-20 -53.03 -52.19 59.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.07 -47.6 74.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 t -52.13 -40.04 60.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.031 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.84 25.38 7.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -105.84 -54.35 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.86 HG11 ' HB2' ' A' ' 61' ' ' ASP . 4.0 m -56.35 -44.09 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.52 -36.52 23.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -57.53 3.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.6 mt -49.54 -44.33 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.46 -148.33 0.29 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.617 HD13 ' N ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -136.2 45.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.438 0.728 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -123.78 178.44 5.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -82.1 134.99 35.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.34 62.75 3.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.412 ' CG ' ' N ' ' A' ' 82' ' ' GLN . 2.7 t-105 -114.14 -71.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 107.985 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' N ' ' CG ' ' A' ' 81' ' ' TRP . 0.0 OUTLIER -177.36 127.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.65 65.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.847 HD13 ' N ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -172.14 126.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 109.374 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.847 ' N ' HD13 ' A' ' 84' ' ' ILE . 0.8 OUTLIER -74.26 -96.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -177.34 168.68 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.58 152.8 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.6 -52.87 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 118' ' ' LYS . 2.5 mmm180 -121.78 134.61 54.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.41 104.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.503 HD12 HG21 ' A' ' 10' ' ' VAL . 4.2 mt -78.85 108.19 12.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.817 ' HE1' HG22 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -82.15 161.55 22.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.36 117.37 9.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -134.39 128.47 51.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.54 170.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.438 ' HA2' ' CB ' ' A' ' 122' ' ' THR . . . -42.02 -94.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.101 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 97' ' ' THR . 15.0 t -121.89 50.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.4 m -113.07 115.93 29.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.6 m -120.23 73.73 1.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.58 -171.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.89 179.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' ASP . 14.0 t 71.52 -58.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.232 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.5 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -39.14 -52.31 4.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.4 Cg_endo -74.98 -38.65 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 111.06 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.72 59.57 3.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -176.9 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 110.361 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.817 HG22 ' HE1' ' A' ' 92' ' ' PHE . 1.1 pt -84.69 -22.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.377 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -50.81 -59.76 6.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.529 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.06 55.31 3.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.71 -48.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -43.53 -38.88 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.666 HD13 ' C ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -93.52 90.25 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.769 ' HB1' HD11 ' A' ' 115' ' ' LEU . . . -167.33 162.21 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.579 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -107.92 52.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.769 HD11 ' HB1' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -156.28 147.04 16.26 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.42 ' HB2' ' CG ' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.04 149.06 36.0 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB1' ' CD2' ' A' ' 92' ' ' PHE . . . -130.67 98.37 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -58.15 109.68 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.216 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 120' ' ' PRO . 0.5 OUTLIER -94.73 113.28 60.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.406 ' N ' HD13 ' A' ' 119' ' ' LEU . 18.5 Cg_endo -74.96 156.61 43.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.41 1.742 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.407 HG22 HG21 ' A' ' 134' ' ' THR . 11.6 pt -134.0 173.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.438 ' CB ' ' HA2' ' A' ' 96' ' ' GLY . 96.4 m -139.66 112.38 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 123' ' ' VAL . 7.6 m -106.7 39.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.572 HG22 ' H ' ' A' ' 125' ' ' ARG . 7.1 p -54.02 172.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.572 ' H ' HG22 ' A' ' 124' ' ' VAL . 12.9 ttt180 -71.1 91.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -161.38 -60.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.452 ' CA ' HG12 ' A' ' 130' ' ' ILE . 2.0 mttm 77.02 -57.01 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.64 -57.28 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.508 ' CG ' HG21 ' A' ' 97' ' ' THR . 0.4 OUTLIER -49.53 -63.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.452 HG12 ' CA ' ' A' ' 127' ' ' LYS . 29.1 pt -42.39 -30.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.238 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 m 46.97 96.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.435 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 47.14 23.17 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.405 1.066 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.598 ' O ' HG22 ' A' ' 134' ' ' THR . 0.7 OUTLIER 50.4 84.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.427 0.722 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 133' ' ' GLU . 10.2 t 46.9 42.86 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -44.22 92.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.21 -59.24 9.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -66.71 89.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 t -151.52 32.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -63.52 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 142' ' ' GLY . 11.6 p -66.92 139.74 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.597 1.186 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -67.32 73.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 140' ' ' VAL . . . -40.81 156.34 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.691 ' O ' ' HB3' ' A' ' 144' ' ' ALA . 8.3 t-80 -93.49 61.6 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 143' ' ' HIS . . . 84.45 166.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.218 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 4.0 mt -134.81 120.54 19.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.462 HD11 ' CD1' ' A' ' 159' ' ' LEU . 1.5 pp -131.54 135.52 59.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.429 ' H ' ' NE ' ' A' ' 147' ' ' ARG . 0.1 OUTLIER -70.51 162.44 28.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.557 ' CD2' HD13 ' A' ' 23' ' ' LEU . 12.9 tp -161.96 155.05 20.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 87.5 p -152.25 123.26 7.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.929 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -40.32 -66.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -69.03 134.95 50.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.058 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 70.2 p 43.39 61.97 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 156' ' ' VAL . . . -44.54 113.28 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.43 -54.31 12.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -109.29 54.15 0.56 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.432 1.083 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.651 HG21 ' HB1' ' A' ' 26' ' ' ALA . 2.3 t -92.66 -44.76 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.35 -52.45 40.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 81.6 t -48.67 -30.27 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.224 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.501 HD21 HD11 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -69.32 -55.59 10.0 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 159' ' ' LEU . 0.1 OUTLIER -38.15 -46.02 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.613 1.196 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -83.39 76.99 9.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 179.63 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 163' ' ' LEU . 3.7 mm? -76.21 -16.69 59.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -87.51 -55.01 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.0 -39.99 9.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.556 1.16 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 86.4 p -95.07 59.18 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 ptt? -114.49 172.22 7.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -100.16 120.25 6.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.429 1.08 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 78.2 mt -67.74 103.48 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.398 0.705 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 178.34 178.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.555 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.55 -60.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 18.7 t0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 -179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 4' ' ' LEU . 13.9 m -142.0 -57.27 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.756 . . . . 0.0 110.048 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 69.16 -66.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 2' ' ' SER . 15.2 mt -136.04 125.8 25.59 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 mmt-85 -111.75 -56.23 2.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 70.94 124.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 87.25 0.14 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.567 1.167 . . . . 0.0 110.996 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -146.94 -173.62 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.953 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.598 ' HE3' HG22 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -169.06 -169.43 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.685 HG11 HD21 ' A' ' 163' ' ' LEU . 24.4 m -123.76 -166.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.703 HG13 HG22 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -150.4 81.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.8 mt -62.92 133.83 28.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.78 138.77 20.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.65 177.75 38.74 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -37.94 130.05 0.95 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 0.755 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 18.3 Cg_endo -74.98 81.73 2.15 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.03 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 16' ' ' PRO . 2.0 m-20 160.97 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.38 84.68 2.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' SER . . . 62.04 -100.37 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.71 -78.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.6 OUTLIER -68.42 -53.63 22.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m -53.42 -43.09 67.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.631 ' HA ' ' HB2' ' A' ' 150' ' ' ALA . 5.8 tp -59.16 -67.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD22 ' HA ' ' A' ' 48' ' ' GLU . 2.8 tp -40.85 -55.3 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -40.71 -64.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.13 -55.33 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -69.26 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.64 -51.86 6.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.28 -115.48 5.23 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 124.546 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.6 mmm-85 59.46 155.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -83.03 -55.46 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.59 116.29 21.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.38 139.78 30.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.0 tt -124.15 157.76 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 m -135.95 139.14 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 t -132.09 161.94 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 38' ' ' ILE . 5.1 t0 -117.72 -57.3 2.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.673 HD11 ' HG3' ' A' ' 47' ' ' ARG . 5.2 pt 37.55 86.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.09 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.62 73.77 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.9 25.19 0.35 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 41' ' ' THR . 3.3 m 38.55 78.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.407 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.62 HG23 ' N ' ' A' ' 45' ' ' VAL . 15.3 t -46.03 125.69 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.465 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -55.59 -42.05 74.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.237 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -66.79 -10.32 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.22 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.62 ' N ' HG23 ' A' ' 42' ' ' THR . 8.5 p 43.72 29.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.007 HD22 ' HA ' ' A' ' 61' ' ' ASP . 14.4 tp -110.97 75.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.673 ' HG3' HD11 ' A' ' 38' ' ' ILE . 35.6 ttp85 -105.64 -7.44 18.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.709 ' HA ' HD22 ' A' ' 24' ' ' LEU . 16.1 mp0 -91.32 25.35 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 47.08 -172.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.557 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.8 tp -166.12 105.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.621 ' HE1' HH21 ' A' ' 160' ' ' ARG . 0.1 OUTLIER -93.75 150.68 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.597 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 tp -130.0 120.41 49.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -85.28 -53.22 5.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.062 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.13 133.01 24.35 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.501 0.766 . . . . 0.0 111.036 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.2 45.7 0.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 162.78 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.6 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.2 mp -124.52 -89.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.598 HG22 ' HE3' ' A' ' 9' ' ' LYS . 10.2 mt 71.55 124.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 1.007 ' HA ' HD22 ' A' ' 46' ' ' LEU . 10.0 m-20 -122.51 155.91 35.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 17.0 m -65.01 -43.07 93.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.689 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . 68.59 -71.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 62' ' ' THR . . . 72.72 -99.46 0.92 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.61 175.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -49.01 12.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 110.339 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.52 -44.74 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.83 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.4 m -47.38 -58.95 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.33 -38.54 3.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.01 -41.12 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 63' ' ' ALA . 13.9 t -49.41 -50.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.52 -45.7 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -51.74 -56.11 15.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.6 mt -60.12 -32.85 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.41 -7.78 87.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.2 mt 49.12 74.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.355 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -162.69 167.2 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 79' ' ' ARG . 0.8 OUTLIER -41.18 111.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.42 55.87 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -102.52 -70.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.02 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.06 123.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 168.88 81.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.2 tp -161.58 135.66 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.29 141.64 49.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -158.27 -173.54 4.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 65.5 96.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -139.47 -47.46 0.46 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.645 ' NH1' ' CE1' ' A' ' 143' ' ' HIS . 12.3 tpp180 -133.39 104.86 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.703 HG22 HG13 ' A' ' 11' ' ' VAL . 21.3 t -92.44 106.32 17.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 91' ' ' LEU . 1.4 pp -106.38 107.41 18.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.623 ' CD1' HG22 ' A' ' 107' ' ' ILE . 78.9 m-85 -77.77 -172.04 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.7 tpt -150.27 137.11 19.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.87 108.58 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.99 109.43 8.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 52.17 -175.94 0.13 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.158 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.3 p -71.48 58.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.2 m -92.75 112.86 24.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 t -106.57 130.3 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -151.97 -168.53 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.8 11.81 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 80.9 t -110.07 -23.07 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.579 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -76.98 -48.29 2.63 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.93 -9.13 20.72 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.562 1.822 . . . . 0.0 111.05 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.84 53.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -171.95 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.245 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.623 HG22 ' CD1' ' A' ' 92' ' ' PHE . 4.9 pt -82.49 -33.87 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.519 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.1 OUTLIER -56.78 -59.38 12.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 108.025 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.3 Cg_endo -74.94 56.78 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -153.28 -49.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.564 ' CD1' HG21 ' A' ' 140' ' ' VAL . 0.9 OUTLIER -38.29 -38.01 0.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 112' ' ' ILE . 6.1 tp -81.33 77.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -166.58 143.31 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.93 71.65 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 pp -175.08 137.22 0.55 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 152.41 40.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.541 1.811 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.0 138.73 45.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.756 ' HE2' HD11 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -102.8 159.73 15.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.863 HD13 ' HD2' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -130.67 130.43 22.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.863 ' HD2' HD13 ' A' ' 119' ' ' LEU . 18.6 Cg_endo -74.92 163.62 35.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.514 HD11 ' CB ' ' A' ' 145' ' ' LEU . 23.6 mt -122.35 159.36 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.402 ' N ' ' CG2' ' A' ' 121' ' ' ILE . 0.7 OUTLIER -123.67 140.37 53.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.7 p -146.53 54.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.733 ' O ' HG23 ' A' ' 124' ' ' VAL . 12.3 m -79.56 85.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' ASN . 0.0 OUTLIER 66.35 -78.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' ARG . 24.9 m-80 -40.05 155.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -133.01 -58.68 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.43 -25.2 66.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.225 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -67.49 -66.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.898 HD12 ' N ' ' A' ' 131' ' ' THR . 2.5 pp -53.85 -47.84 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.898 ' N ' HD12 ' A' ' 130' ' ' ILE . 1.0 OUTLIER -39.48 -41.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -41.82 -84.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -49.87 75.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.262 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 136' ' ' GLY . 50.3 m -40.48 -31.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.358 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -49.34 93.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' SER . . . 34.52 71.91 0.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.459 ' C ' ' O ' ' A' ' 136' ' ' GLY . 4.1 ttt -31.95 94.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.413 0.713 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -65.31 116.57 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 140' ' ' VAL . 12.6 tp10 -178.05 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.564 HG21 ' CD1' ' A' ' 111' ' ' PHE . 13.4 p -156.74 148.09 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.09 113.78 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -92.43 143.68 16.66 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.645 ' CE1' ' NH1' ' A' ' 89' ' ' ARG . 9.4 t-160 -61.95 -42.12 98.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.55 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 143' ' ' HIS . . . 175.0 137.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.514 ' CB ' HD11 ' A' ' 121' ' ' ILE . 2.7 mt -91.97 115.58 28.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 4.5 mm -125.79 144.26 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.17 155.65 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.6 pp -175.06 -170.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.366 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 151' ' ' ARG . 18.9 p -176.44 88.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 23' ' ' LEU . . . -40.31 98.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -168.77 -50.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.3 m -167.58 109.55 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 70.54 -104.42 1.37 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 60.67 -174.51 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -77.15 54.67 3.54 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 50.4 t -99.27 -41.73 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.224 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.02 -45.77 87.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 80.5 t -58.79 -31.42 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.756 HD11 ' HE2' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -71.04 -46.73 61.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.621 HH21 ' HE1' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -43.42 -49.38 7.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -49.23 -49.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -61.65 -34.02 74.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.685 HD21 HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -66.17 -28.39 68.74 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -71.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -37.84 -36.79 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.0 t -68.1 -57.76 5.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -42.03 110.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.191 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -90.75 146.04 18.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.3 pt -54.51 136.71 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 0.805 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 174.96 143.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.639 1.212 . . . . 0.0 109.586 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -121.71 121.7 37.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.4 p30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 p -131.4 114.25 14.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 pp -125.76 24.82 7.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt -119.01 161.55 20.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -128.09 153.09 47.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.54 154.94 19.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.74 95.34 0.1 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -179.66 131.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' CG ' HG12 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -87.26 -162.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.381 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.703 HG11 HD21 ' A' ' 163' ' ' LEU . 2.4 p -170.43 104.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' C ' HG23 ' A' ' 12' ' ' ILE . 11.6 p -59.9 145.77 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.419 HG23 ' C ' ' A' ' 11' ' ' VAL . 1.3 pp -152.68 90.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.79 169.31 9.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.84 175.48 23.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -42.57 118.92 2.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 62.7 5.97 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.536 1.808 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -177.61 57.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.31 35.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 64.87 53.56 33.54 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -54.17 14.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.75 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.4 m -77.86 -38.21 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.99 -48.38 16.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ALA . 7.9 tp -60.9 -53.82 52.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.14 -50.7 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -51.09 -48.91 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.233 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . -84.97 59.74 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.585 HD11 HD12 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -174.58 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.337 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.8 -69.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.4 -56.89 0.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -40.74 105.61 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 0.743 . . . . 0.0 110.188 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -58.94 140.7 55.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 110.362 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.07 59.53 2.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.39 -178.25 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tt -123.86 128.86 74.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.9 m -90.84 114.91 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -88.05 145.43 25.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.601 1.188 . . . . 0.0 110.425 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -145.66 84.66 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 pt -125.45 175.55 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -110.83 -55.78 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -42.76 95.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' ALA . 16.0 p -49.34 157.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.422 0.719 . . . . 0.0 110.359 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.3 p -106.03 130.68 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.409 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -58.24 -33.67 69.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -80.16 -15.4 57.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.578 HG13 HG23 ' A' ' 62' ' ' THR . 8.5 p 43.92 29.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD13 ' H ' ' A' ' 62' ' ' THR . 5.9 tp -107.52 57.19 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -96.64 24.76 5.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -113.08 12.45 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 57.34 -178.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 58' ' ' HIS . 3.8 tt -120.01 146.36 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 0.3 OUTLIER -118.16 96.85 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.573 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.431 ' O ' ' CG2' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -122.7 118.03 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.07 -41.91 12.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -38.34 -86.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.438 ' N ' ' SD ' ' A' ' 55' ' ' MET . 2.3 mpt? -127.5 145.12 53.39 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.458 0.74 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 65.64 6.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -170.54 91.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.416 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -170.96 126.69 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.582 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.98 108.83 22.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.483 ' O ' HD22 ' A' ' 46' ' ' LEU . 1.1 tt -101.6 -178.76 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.522 ' HB2' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -160.15 109.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 62' ' ' THR . 12.0 t -83.04 72.54 10.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.897 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -52.63 -87.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.255 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.3 -48.87 1.09 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.7 140.29 38.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -41.01 -57.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.43 1.081 . . . . 0.0 110.367 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.66 -49.86 56.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.14 -46.98 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -44.83 -41.22 6.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.523 1.14 . . . . 0.0 109.986 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -72.82 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.34 -30.32 3.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.897 HG21 ' HB2' ' A' ' 63' ' ' ALA . 0.9 OUTLIER -57.81 -50.86 76.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -69.36 -18.22 63.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 pt -75.65 -14.56 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -105.97 14.47 44.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 77' ' ' ILE . 14.9 mt 44.68 48.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.76 177.81 5.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 79' ' ' ARG . 21.1 mtm105 -98.71 152.22 19.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.13 -56.58 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -72.67 102.5 3.33 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -149.16 -45.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' CB ' ' O ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER 81.16 94.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 85' ' ' GLU . 2.5 tp -87.71 -39.59 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 84' ' ' ILE . 9.1 tt0 84.93 149.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.61 178.31 7.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.92 176.16 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -151.25 32.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -169.02 143.56 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.42 HG23 ' HG ' ' A' ' 115' ' ' LEU . 31.1 t -135.41 127.38 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 159' ' ' LEU . 1.1 tm? -114.22 87.49 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.544 ' CZ ' ' HG2' ' A' ' 110' ' ' GLU . 1.0 OUTLIER -73.56 147.85 43.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.4 tpt -125.41 132.01 52.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.7 t -148.32 131.74 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -48.59 -52.65 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.394 1.059 . . . . 0.0 109.297 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.59 -82.87 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -94.63 32.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.455 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.5 m -115.67 91.57 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.3 p -101.36 79.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.31 174.34 10.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -87.11 -0.12 56.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 109.395 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.7 t -103.98 -17.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.56 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -62.86 -48.89 84.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.5 Cg_endo -74.97 -19.25 18.09 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.55 -17.08 63.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.8 35.02 4.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 104' ' ' PRO . 0.3 OUTLIER -120.74 -41.55 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.252 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.587 ' CD1' ' C ' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -50.54 -55.97 22.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.01 56.3 4.21 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.401 1.737 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.544 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 1.2 tp10 -149.56 -62.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.66 -19.65 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.704 HG22 ' O ' ' A' ' 112' ' ' ILE . 3.7 mt -87.66 74.23 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.436 ' HB1' ' CD2' ' A' ' 115' ' ' LEU . . . -176.43 -179.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -99.06 -37.32 9.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.436 ' CD2' ' HB1' ' A' ' 113' ' ' ALA . 1.7 pt? -58.41 144.65 77.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -74.93 177.72 8.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -143.35 133.3 24.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -100.54 -176.53 3.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.75 137.03 1.17 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.3 Cg_endo -74.99 -176.69 3.01 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.554 HD11 ' O ' ' A' ' 145' ' ' LEU . 75.2 mt -119.61 163.85 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 122' ' ' THR . 13.2 t -116.7 59.5 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 123' ' ' VAL . 10.4 p -69.5 65.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.216 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.688 HG22 ' H ' ' A' ' 125' ' ' ARG . 3.9 p -107.18 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.688 ' H ' HG22 ' A' ' 124' ' ' VAL . 7.8 mtt180 -48.93 156.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.7 114.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -14.43 50.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.59 -47.1 82.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.0 -46.01 79.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.9 mt -40.38 -83.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 15.0 t -43.74 -46.72 7.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.51 58.64 2.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.4 -52.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 110.226 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 3.1 m -59.4 -33.19 70.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.08 -36.57 13.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -48.28 -71.44 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.83 91.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 8.5 p -132.44 41.44 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.03 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.25 -65.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 8.9 p -80.71 138.21 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.37 94.43 0.4 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -43.63 -34.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.792 . . . . 0.0 109.626 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -167.59 -172.18 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.554 ' O ' HD11 ' A' ' 121' ' ' ILE . 0.2 OUTLIER -161.8 96.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 2.0 pt -108.52 151.86 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -101.13 140.34 35.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.548 ' N ' HD13 ' A' ' 148' ' ' LEU . 0.0 OUTLIER -158.36 -178.5 7.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.2 t -152.32 30.43 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 152' ' ' THR . . . 43.74 -147.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 66.55 -70.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.343 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 150' ' ' ALA . 9.5 t -175.12 138.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 61.49 -145.6 48.69 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 75.28 -69.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 0.795 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -157.8 45.69 0.48 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 17.1 m -106.84 9.4 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -107.34 -62.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 30.1 m -54.76 -38.23 43.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.501 HD11 HD11 ' A' ' 91' ' ' LEU . 6.0 tt -59.07 -47.33 85.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -65.18 -27.78 68.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -71.9 -13.74 61.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -115.06 12.4 16.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.623 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.703 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -100.13 -46.22 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -56.36 8.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -40.97 -33.17 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 50.9 m -42.07 -67.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.007 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.413 ' CB ' ' HG3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -144.03 160.99 39.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.973 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 169' ' ' ILE . . . -143.88 -84.74 0.07 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 170' ' ' HIS . 12.0 pt -37.31 151.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER 85.83 137.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -39.99 59.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.7 -57.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.987 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 3' ' ' LEU . 1.8 mm? 57.6 91.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.43 161.36 40.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 145.43 41.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -150.29 174.62 12.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.61 -177.99 29.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.527 ' HB3' ' CB ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -152.76 -166.47 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 111.073 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' CE ' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -141.71 87.97 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.81 HG21 HD21 ' A' ' 163' ' ' LEU . 10.0 p -88.9 156.54 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.653 ' CG1' HG22 ' A' ' 90' ' ' VAL . 9.3 p -155.67 130.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.4 mt -91.07 129.6 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.58 172.14 7.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 109.373 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.78 171.25 14.02 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -70.99 150.27 94.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 110.267 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 72.74 4.57 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.812 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 18' ' ' ALA . 12.9 t-20 173.5 -34.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . -38.71 -66.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.359 1.037 . . . . 0.0 109.312 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.84 41.52 0.03 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -85.6 159.75 19.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 0.792 . . . . 0.0 109.24 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.7 t 79.16 -55.3 0.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -16.33 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 24' ' ' LEU . 1.1 tt -77.42 -56.86 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.71 -27.44 17.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -52.94 -49.82 65.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.02 -47.08 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD11 HD13 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -76.1 65.23 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.46 160.48 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.43 -48.62 6.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 0.4 OUTLIER -43.32 122.5 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.794 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.22 -56.6 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 33' ' ' ALA . . . -58.18 -73.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 32' ' ' ALA . . . 69.7 148.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.38 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -118.47 145.53 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.511 ' N ' HD13 ' A' ' 34' ' ' ILE . 7.7 p -106.44 120.18 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.15 93.81 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.44 94.63 9.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.79 130.04 69.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.72 -28.05 40.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.44 91.98 0.14 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.4 m -38.83 133.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.423 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.663 HG23 ' H ' ' A' ' 45' ' ' VAL . 7.4 t -89.11 149.23 23.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.427 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -41.36 19.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.676 ' HA ' HG12 ' A' ' 72' ' ' VAL . 3.7 p30 -65.71 -11.98 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.74 HG11 ' O ' ' A' ' 63' ' ' ALA . 95.3 t 67.68 -63.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -38.91 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 45' ' ' VAL . 2.6 ptt85 -129.24 7.04 5.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.09 35.47 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.491 ' O ' ' CG1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER 40.74 -159.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 49' ' ' HIS . 12.4 mt -156.7 126.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 3.8 p80 -83.24 101.26 11.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.553 1.158 . . . . 0.0 109.594 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 tp -91.3 107.15 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -102.65 114.93 29.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.63 -44.05 1.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.6 ttt -154.43 112.96 2.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 58.69 4.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.12 55.64 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.506 ' CD2' HG13 ' A' ' 60' ' ' ILE . 59.3 t60 -143.96 151.01 39.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.3 130.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.506 HG13 ' CD2' ' A' ' 58' ' ' HIS . 7.2 mt -129.07 145.74 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -87.78 151.2 23.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.402 ' HB ' ' N ' ' A' ' 46' ' ' LEU . 44.5 m -102.85 -50.98 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 110.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.74 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 45.63 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.7 -41.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -114.7 -176.69 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -56.07 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -49.03 -56.86 7.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.55 -53.72 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.7 m -40.09 -39.05 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.034 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -78.87 -45.54 20.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -55.31 -52.08 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.358 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 44' ' ' ASP . 25.7 m -59.5 -33.52 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.18 -12.15 37.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.18 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -49.19 4.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 pp -59.03 -33.75 51.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.22 106.02 3.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.549 1.155 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.3 mm -44.63 99.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -170.19 -179.75 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.42 154.31 38.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.15 -66.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -75.28 68.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -112.32 158.79 19.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.234 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -85.4 142.95 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 84' ' ' ILE . 2.9 tp -149.54 116.75 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.443 ' HB2' ' CE ' ' A' ' 9' ' ' LYS . 8.9 mm-40 -55.6 179.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.9 -179.72 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.56 136.28 38.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' OD2' ' O ' ' A' ' 166' ' ' SER . 64.9 t0 -117.43 -64.32 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CZ ' ' OG ' ' A' ' 166' ' ' SER . 0.9 OUTLIER -105.64 103.91 13.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.653 HG22 ' CG1' ' A' ' 11' ' ' VAL . 3.5 t -95.82 100.17 10.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.45 HD23 ' CG ' ' A' ' 118' ' ' LYS . 1.9 mt -83.74 134.82 34.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.737 ' CZ ' HD13 ' A' ' 107' ' ' ILE . 0.3 OUTLIER -106.43 159.02 16.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 111.007 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 tpt -137.81 133.91 34.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 54.9 t -137.98 127.13 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.238 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 96' ' ' GLY . 21.4 t70 -70.78 116.65 11.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.757 ' HA2' HG21 ' A' ' 122' ' ' THR . . . 37.62 -156.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 97' ' ' THR . 1.3 m -97.63 64.56 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.622 0.837 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.3 m -132.76 123.11 25.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 t -104.3 141.5 36.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -168.33 171.66 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.728 ' C ' HG23 ' A' ' 102' ' ' VAL . . . -48.78 166.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.728 HG23 ' C ' ' A' ' 101' ' ' ALA . 2.4 t 82.03 -54.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -46.66 -50.32 42.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.3 Cg_endo -75.0 -31.77 5.93 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.388 1.731 . . . . 0.0 111.04 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 102' ' ' VAL . . . -56.66 -27.67 59.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 109.387 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -114.6 59.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.737 HD13 ' CZ ' ' A' ' 92' ' ' PHE . 8.5 mm -143.24 -49.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.463 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -45.45 -56.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 108.064 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.5 Cg_endo -75.03 55.02 3.83 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.485 ' HG2' ' CE2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -159.67 -58.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER -40.94 -49.56 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.488 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 30.6 pt -60.81 -178.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 112' ' ' ILE . . . 70.67 163.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -91.05 3.21 55.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.61 126.82 79.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 165.81 30.4 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.8 104.26 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.476 ' HE3' HD12 ' A' ' 159' ' ' LEU . 0.0 OUTLIER -68.87 167.24 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -138.46 117.34 9.5 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 146' ' ' ILE . 18.1 Cg_endo -75.06 143.05 28.39 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.496 HD11 HD22 ' A' ' 145' ' ' LEU . 45.9 mt -114.31 147.91 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.757 HG21 ' HA2' ' A' ' 96' ' ' GLY . 0.5 OUTLIER -107.02 134.8 49.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 123' ' ' VAL . 13.5 m -127.66 72.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.8 p -145.2 133.53 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.2 115.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.65 141.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -116.32 -5.7 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 131' ' ' THR . . . -90.56 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -43.78 -30.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 122' ' ' THR . 0.4 OUTLIER -78.93 -46.96 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.426 ' N ' ' CG2' ' A' ' 130' ' ' ILE . 2.8 m -55.94 -58.79 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -71.26 58.81 1.12 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 179.59 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 0.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 135' ' ' LEU . 9.5 t -66.69 -50.97 61.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.464 ' N ' HG23 ' A' ' 134' ' ' THR . 15.7 mt -47.27 -56.52 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -94.65 50.02 2.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 111.02 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.781 ' SD ' HD21 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -39.06 -52.46 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 111.017 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.16 -68.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -179.21 -61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.45 123.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.99 65.95 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -37.74 141.02 0.37 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -42.01 -58.45 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.606 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -142.82 -179.8 6.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.781 HD21 ' SD ' ' A' ' 137' ' ' MET . 3.5 mp -146.02 100.57 3.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 120' ' ' PRO . 20.7 mm -109.05 134.92 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -80.89 133.82 35.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.1 176.08 5.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.9 t -158.01 32.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 151' ' ' ARG . . . 59.54 -141.66 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 150' ' ' ALA . 7.9 mtt180 -38.0 -60.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 18.8 m -72.67 57.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -48.49 111.89 1.03 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.79 25.02 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 169.76 48.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.56 1.162 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.83 -30.84 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.14 -50.6 46.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.23 -29.67 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.476 HD12 ' HE3' ' A' ' 118' ' ' LYS . 4.4 tt -77.25 -45.31 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -65.32 -18.05 65.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.93 -17.69 59.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -105.2 14.77 28.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.81 HD21 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -111.79 -36.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.36 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.78 39.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -62.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.495 ' OG ' ' CZ ' ' A' ' 89' ' ' ARG . 2.0 m -56.68 -19.94 19.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.042 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.527 ' CB ' ' HB3' ' A' ' 8' ' ' MET . 15.5 ptt? -48.99 138.04 12.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.55 152.15 50.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.0 mt -92.65 97.52 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 0.796 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -175.75 162.31 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.624 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -102.27 138.35 39.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 109.362 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -56.31 109.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.048 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.31 -56.74 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -97.95 162.18 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -153.26 169.98 21.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -176.81 133.63 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.65 178.96 16.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -169.49 162.6 10.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.77 137.6 50.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.578 HG21 HD21 ' A' ' 163' ' ' LEU . 11.1 p -121.11 148.64 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.646 HG13 HG23 ' A' ' 90' ' ' VAL . 13.9 p -129.4 130.21 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -115.67 106.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.23 -172.99 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.08 148.8 8.03 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.057 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.41 150.8 2.16 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 59.14 5.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.515 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 4.3 t-20 176.25 100.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 175.2 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.39 42.71 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -29.12 62.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.808 ' HB2' HG21 ' A' ' 35' ' ' VAL . 2.1 p -82.38 -43.23 17.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -61.57 -31.46 71.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' LEU . 6.4 tt -67.51 -63.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' ALA . 2.0 tm? -40.24 -65.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.589 1.181 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 79.66 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -177.96 -51.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.16 -59.82 4.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.52 -52.04 14.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 38.16 90.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.554 1.159 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -90.56 50.46 1.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.383 0.696 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 39.75 41.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.69 -56.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.85 131.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.63 HD13 ' N ' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -157.6 119.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.808 HG21 ' HB2' ' A' ' 21' ' ' SER . 8.1 p -110.18 135.8 48.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -99.37 148.87 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.423 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.74 78.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.92 136.96 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' THR . . . -84.2 -44.95 13.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.585 1.178 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -38.25 96.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 41' ' ' THR . 2.9 t -57.81 116.08 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 0.798 . . . . 0.0 110.396 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.458 HG23 ' HA ' ' A' ' 45' ' ' VAL . 6.0 t -68.06 132.8 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.397 1.061 . . . . 0.0 110.434 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -37.93 89.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -70.74 -8.23 50.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.458 ' HA ' HG23 ' A' ' 42' ' ' THR . 7.1 p 40.29 36.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.897 HD22 ' HA ' ' A' ' 61' ' ' ASP . 11.7 tp -126.81 79.48 1.87 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.34 9.92 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.23 44.28 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 47.2 -171.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.585 1.178 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.545 HD11 HD21 ' A' ' 46' ' ' LEU . 2.8 mp -143.5 97.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -47.0 147.47 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.688 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.9 pp -140.21 64.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -85.0 62.22 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.372 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.72 -69.34 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.5 ttt -130.31 121.19 19.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HB3' HD13 ' A' ' 52' ' ' ILE . 18.3 Cg_endo -74.94 -175.59 2.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mp 51.15 55.55 9.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -144.35 147.3 33.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.9 mp -115.75 154.1 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.1 mm -112.94 -49.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.897 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.8 m-20 62.48 103.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -105.37 135.72 46.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.29 161.13 27.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -151.36 22.96 0.96 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.2 tp -170.41 156.12 5.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 0.782 . . . . 0.0 109.345 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -42.4 55.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -50.69 56.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.51 -61.05 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.1 t -51.19 -39.01 55.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -59.03 -54.04 51.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.6 -37.37 87.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.542 HG13 ' HB3' ' A' ' 61' ' ' ASP . 2.9 t -56.75 -51.02 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.215 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.87 -38.23 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.93 -64.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -52.65 97.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.239 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.05 -143.71 14.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.93 -22.34 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.98 164.14 5.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -108.51 -69.6 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 79' ' ' ARG . . . 178.52 161.95 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 49.17 77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -178.34 140.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.485 ' HG3' HD12 ' A' ' 84' ' ' ILE . 8.5 pt-20 41.18 -157.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 83' ' ' GLU . 3.2 mt 65.74 124.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -123.45 -174.39 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.164 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -84.0 156.41 22.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -50.15 175.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -150.73 -48.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.515 ' HB3' HG23 ' A' ' 10' ' ' VAL . 1.2 tpt180 -107.64 153.08 23.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.646 HG23 HG13 ' A' ' 11' ' ' VAL . 9.9 p -158.7 123.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.726 ' HB2' ' HZ2' ' A' ' 118' ' ' LYS . 10.2 tt -132.13 110.56 10.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.808 ' CE2' HD13 ' A' ' 119' ' ' LEU . 7.6 p90 -110.21 77.13 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.37 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.407 HG11 HD11 ' A' ' 119' ' ' LEU . 35.1 m -129.51 -168.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 -171.26 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.58 -74.37 0.51 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.576 HG21 ' HD2' ' A' ' 127' ' ' LYS . 29.4 p -118.13 -41.0 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.434 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -38.8 132.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 m -156.46 82.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -67.19 -174.32 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.25 0.04 53.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.3 t -98.83 -10.57 8.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -71.97 -49.86 9.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.55 ' HA ' ' CG1' ' A' ' 107' ' ' ILE . 18.5 Cg_endo -74.93 -7.65 19.41 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -92.7 0.09 57.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.257 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -115.39 -1.93 12.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.701 HG22 ' CE2' ' A' ' 92' ' ' PHE . 3.6 pt -117.08 -39.37 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.217 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.465 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 0.5 OUTLIER -40.56 -55.95 4.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.015 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.98 53.31 3.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.39 1.732 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.571 ' OE2' HG11 ' A' ' 90' ' ' VAL . 7.0 tp10 -134.22 -45.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -86.39 41.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.033 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.5 mt -119.55 -46.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.714 ' HB3' HD11 ' A' ' 115' ' ' LEU . . . -76.84 -168.46 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.489 ' C ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -119.65 81.95 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -167.7 157.3 9.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.497 ' HB3' ' CD2' ' A' ' 143' ' ' HIS . 18.3 Cg_endo -75.0 148.5 35.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.626 ' HB1' ' HE1' ' A' ' 92' ' ' PHE . . . -125.52 132.25 52.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.726 ' HZ2' ' HB2' ' A' ' 91' ' ' LEU . 4.2 mtmp? -97.36 135.97 38.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.808 HD13 ' CE2' ' A' ' 92' ' ' PHE . 20.2 tp -144.2 102.59 4.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.78 19.66 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.435 HG21 HG23 ' A' ' 134' ' ' THR . 1.4 pt -130.73 -173.26 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.78 HG21 HG13 ' A' ' 130' ' ' ILE . 10.2 t -99.05 144.22 28.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.541 ' O ' ' C ' ' A' ' 124' ' ' VAL . 8.3 p -76.51 66.48 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.774 HG22 ' N ' ' A' ' 125' ' ' ARG . 0.7 OUTLIER 29.1 -97.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.774 ' N ' HG22 ' A' ' 124' ' ' VAL . 20.6 ttt180 74.62 -61.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -152.62 -165.98 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.576 ' HD2' HG21 ' A' ' 97' ' ' THR . 2.0 mmtt 68.7 49.33 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 42.95 31.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.589 ' HA ' HG23 ' A' ' 124' ' ' VAL . 0.4 OUTLIER 63.81 116.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.78 HG13 HG21 ' A' ' 122' ' ' THR . 21.2 mm -64.81 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 130' ' ' ILE . 6.3 t -37.65 -38.1 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.428 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -66.41 -57.4 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.421 1.075 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.28 -45.99 85.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.435 HG23 HG21 ' A' ' 121' ' ' ILE . 0.8 OUTLIER -49.32 -45.09 44.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.44 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 mt -64.56 -41.07 96.55 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.7 -46.39 89.98 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.4 ttp -69.15 73.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 0.736 . . . . 0.0 110.951 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.1 t -130.65 62.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -40.77 85.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.03 137.88 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -49.83 101.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -48.57 142.69 8.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.497 ' CD2' ' HB3' ' A' ' 116' ' ' PRO . 52.5 t-80 -112.63 -15.55 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.617 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -136.21 -73.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 119' ' ' LEU . 61.4 mt 62.88 72.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 48.8 mt -135.71 127.23 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 121' ' ' ILE . 0.8 OUTLIER -71.87 147.02 47.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.626 HD21 HD11 ' A' ' 159' ' ' LEU . 1.9 pp -176.18 163.27 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 150' ' ' ALA . 52.4 p -141.64 130.24 22.71 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.963 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 152' ' ' THR . . . -45.41 -94.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.4 -89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 152' ' ' THR . 1.0 OUTLIER -175.33 71.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.46 ' O ' HG22 ' A' ' 156' ' ' VAL . . . 147.99 -156.18 26.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 69.46 -149.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.571 0.807 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.603 ' HA3' HD22 ' A' ' 148' ' ' LEU . . . -41.78 -84.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 153' ' ' GLY . 0.0 OUTLIER 40.02 -97.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 155' ' ' GLY . 32.4 t70 -45.45 -50.53 12.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 36.6 t -41.78 -47.13 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.626 HD11 HD21 ' A' ' 148' ' ' LEU . 28.3 mt -73.11 -44.41 60.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -34.93 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.1 -50.56 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -52.72 -31.89 40.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.641 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.578 HD21 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -73.2 -49.99 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -54.88 -60.01 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -43.0 -37.29 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 54.3 p -99.87 75.14 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.33 -67.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.084 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 89.26 137.71 6.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.5 mt -65.02 113.03 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.485 ' CG ' ' N ' ' A' ' 171' ' ' ARG . 75.1 t60 -178.1 167.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.612 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER 64.17 127.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.65 113.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 109.968 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.91 149.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.365 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.2 mt 65.13 95.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.4 mtm-85 -104.69 139.93 38.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.64 166.94 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.59 107.94 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.462 ' HG2' ' CB ' ' A' ' 167' ' ' MET . 0.0 OUTLIER -159.32 170.75 21.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 0.788 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.428 ' N ' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -131.89 165.19 24.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.7 p -144.37 157.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 11' ' ' VAL . 7.2 p -136.22 100.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 91' ' ' LEU . 59.0 mt -92.74 84.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.3 167.66 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 138.57 129.82 2.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.22 156.21 0.49 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.67 19.91 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 68.09 50.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.83 27.86 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.391 1.057 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.53 72.69 0.49 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -107.76 -58.02 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 m -54.33 -49.1 70.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.6 m -47.85 -39.22 17.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -57.77 -58.9 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.555 HD22 ' HA ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -52.05 -39.34 59.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -63.05 -46.74 86.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' LEU . . . -46.0 -57.56 4.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.432 1.083 . . . . 0.0 109.383 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 55.41 0.73 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' LEU . . . -101.37 -52.78 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.15 -63.35 0.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.51 ' NH2' ' CE1' ' A' ' 49' ' ' HIS . 9.4 ptp180 -65.96 147.5 53.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 0.0 110.331 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.85 -62.72 1.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.17 89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.32 129.57 40.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mm -103.07 118.39 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.606 1.192 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -105.07 140.35 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.9 p -125.57 140.35 52.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -117.54 88.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.7 tp -140.71 149.48 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.16 -54.96 3.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -39.64 101.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.2 p -54.67 142.65 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.391 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.6 p -63.88 156.67 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -81.69 -19.94 40.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.615 ' O ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -108.18 3.06 23.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 44' ' ' ASP . 9.9 p 46.88 29.52 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 61' ' ' ASP . 2.5 tp -119.34 96.55 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 9.08 4.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HA ' HD22 ' A' ' 24' ' ' LEU . 4.1 mp0 -103.27 37.93 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CE1' ' NH2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER 40.45 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 109.557 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 50' ' ' ILE . 8.4 mm -149.94 113.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.531 ' CE1' HH21 ' A' ' 160' ' ' ARG . 5.8 t-80 -95.5 116.48 28.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.1 mm -130.63 126.32 60.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -86.6 -41.28 14.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.375 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -43.0 -74.03 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.26 170.66 8.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 0.796 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.45 1.763 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.19 143.26 27.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.419 1.074 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -164.29 -56.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp 64.22 116.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 60' ' ' ILE . 6.8 mm -138.25 157.76 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.342 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.483 ' HA ' HD13 ' A' ' 46' ' ' LEU . 3.1 m-20 -134.68 131.78 38.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 62' ' ' THR . 4.7 t -96.57 73.46 2.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB2' HG21 ' A' ' 72' ' ' VAL . . . -62.74 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.02 -64.04 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.89 166.1 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -44.51 -47.86 10.12 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.15 -65.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.0 -58.38 8.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -39.91 -38.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.942 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -76.79 -70.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -40.15 -47.34 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 44' ' ' ASP . 11.2 t -44.61 -60.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.392 1.057 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.1 -49.8 8.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -56.46 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 mm -45.35 -48.76 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.19 42.22 2.01 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.549 1.156 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.608 HG22 ' N ' ' A' ' 78' ' ' GLU . 2.7 mp 59.92 -100.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 0.776 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.608 ' N ' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER 60.64 160.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -76.26 -82.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.65 -49.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -108.3 85.2 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.63 126.41 51.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -48.48 139.25 9.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 84' ' ' ILE . 7.5 tp -148.77 111.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' NZ ' ' A' ' 9' ' ' LYS . 3.3 mm-40 -48.98 174.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -123.01 136.66 54.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' O ' HD23 ' A' ' 115' ' ' LEU . . . -45.69 105.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 89' ' ' ARG . 3.0 m-20 -108.02 63.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' CB ' ' O ' ' A' ' 88' ' ' ASP . 0.2 OUTLIER 162.91 130.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.9 t -124.79 118.63 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -131.1 98.49 4.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -115.17 142.18 47.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.78 137.99 31.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 96' ' ' GLY . 32.0 m -119.73 6.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 60.72 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -171.8 -132.68 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.1 t -46.63 -30.94 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 0.798 . . . . 0.0 110.342 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.0 p -39.76 125.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.383 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 t -133.03 164.75 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -174.85 174.04 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -84.6 -1.47 56.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.38 -15.88 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.546 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -61.89 -49.76 84.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 103' ' ' ASP . 18.2 Cg_endo -74.95 -43.71 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.56 65.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 174.42 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.4 pt -92.13 -29.76 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.457 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.2 OUTLIER -56.83 -56.09 36.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.4 Cg_endo -74.95 56.32 4.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.73 -46.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -40.93 -33.43 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 112' ' ' ILE . 3.7 mp -82.17 79.87 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -177.27 128.12 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 56.98 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 115' ' ' LEU . 1.1 pp -145.74 154.75 52.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 151.86 39.77 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -133.23 86.61 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mtmm -63.99 126.8 28.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.725 HD23 ' HD2' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -107.41 120.6 47.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.725 ' HD2' HD23 ' A' ' 119' ' ' LEU . 18.4 Cg_endo -75.08 154.55 42.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 122' ' ' THR . 3.7 mm -118.97 163.89 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.643 ' HB ' HG21 ' A' ' 130' ' ' ILE . 0.9 OUTLIER -94.57 147.54 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' VAL . 3.5 t -79.95 54.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.835 HG13 ' HA ' ' A' ' 129' ' ' ASP . 76.4 t 37.41 -100.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.599 ' N ' HG12 ' A' ' 124' ' ' VAL . 0.0 OUTLIER 76.67 -67.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.083 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.99 -171.16 3.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 74.92 46.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 41.02 44.27 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.835 ' HA ' HG13 ' A' ' 124' ' ' VAL . 1.7 m-20 63.84 104.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.643 HG21 ' HB ' ' A' ' 122' ' ' THR . 4.2 tp -46.25 -23.39 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.549 ' C ' ' O ' ' A' ' 130' ' ' ILE . 4.4 m -25.77 -67.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.467 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -39.7 -83.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -39.34 -49.7 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -47.28 -59.03 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.338 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.437 ' N ' HG22 ' A' ' 134' ' ' THR . 0.1 OUTLIER -47.85 -57.78 5.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -41.2 -53.93 3.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.73 99.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.415 0.715 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.83 51.38 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.065 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.6 7.47 26.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.5 p -154.76 147.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.14 89.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -66.18 134.29 33.95 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -67.16 -44.65 79.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 0.0 109.603 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -161.78 150.97 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 17.0 mt -114.57 120.72 41.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.737 HD12 HD23 ' A' ' 148' ' ' LEU . 1.0 OUTLIER -144.84 139.53 23.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -105.04 134.52 48.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.737 HD23 HD12 ' A' ' 146' ' ' ILE . 2.3 pp -152.44 176.22 11.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.5 t -125.0 -178.18 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -89.93 -61.94 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 151' ' ' ARG . 1.3 ttp-105 -63.21 -69.9 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 154' ' ' GLU . 76.7 p -92.22 78.18 5.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -53.61 88.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 152' ' ' THR . 7.4 mt-10 -54.91 -45.04 74.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 0.75 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -132.98 60.24 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.41 1.069 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.54 -2.6 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.547 0.793 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.88 -48.3 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.37 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.519 ' O ' ' CD2' ' A' ' 162' ' ' HIS . 66.1 t -60.86 -19.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 91' ' ' LEU . 5.1 tp -82.43 -44.05 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.531 HH21 ' CE1' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -60.17 -51.99 67.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 110.238 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 164' ' ' LYS . 6.1 m-80 -46.09 -65.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 158' ' ' VAL . 36.2 m-70 -40.22 -43.73 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.605 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 163' ' ' LEU . 0.2 OUTLIER -48.99 -49.84 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 161' ' ' ASN . 23.9 pttt -87.94 55.34 3.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -149.74 -54.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 44.7 t -92.04 20.92 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.462 ' CB ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 63.86 134.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.569 1.168 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 38.5 pt -65.9 123.52 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 171' ' ' ARG . 0.7 OUTLIER -175.41 169.89 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.62 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER 83.55 -58.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.71 112.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 0.806 . . . . 0.0 109.975 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.88 -64.23 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.913 HD21 HG22 ' A' ' 169' ' ' ILE . 5.0 tp -177.13 134.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.579 1.174 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -106.61 -45.88 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 66.17 113.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.226 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.62 160.18 26.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.533 1.145 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -175.05 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.04 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.878 ' HB3' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -118.97 -179.54 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.589 1.181 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG21 HD21 ' A' ' 163' ' ' LEU . 5.3 p -155.51 152.2 9.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.0 t -120.74 129.61 75.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 12' ' ' ILE . 2.7 mt -129.88 83.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.65 159.0 20.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.7 -154.54 25.07 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.414 1.071 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -75.08 125.37 89.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 86.23 1.45 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.445 1.761 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 162.5 -37.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.84 61.05 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 36.84 84.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 -31.93 11.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 0.734 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.65 -41.74 10.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -50.33 -28.22 7.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.954 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.88 -40.34 47.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.758 HD11 ' NE2' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -64.58 -42.71 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -58.66 -43.63 89.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.1 91.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.512 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -51.82 -67.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.23 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.603 ' HB2' ' HE1' ' A' ' 49' ' ' HIS . . . -47.71 -66.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.3 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.27 28.78 35.51 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -78.44 148.81 33.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 0.753 . . . . 0.0 110.295 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.7 mp0 -78.82 63.16 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 31' ' ' GLU . . . 169.34 65.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.29 124.33 19.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.353 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 tp -123.92 140.09 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 81.4 t -125.67 112.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.4 t -88.97 136.84 32.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.36 88.25 2.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 tt -135.63 160.84 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.96 -39.46 6.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.77 109.85 0.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -73.41 102.16 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 45' ' ' VAL . 9.8 t -47.24 120.67 3.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -35.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.1 p30 -70.04 -8.74 51.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.614 HG21 ' O ' ' A' ' 63' ' ' ALA . 46.1 t 69.79 -59.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.828 HD13 ' HA ' ' A' ' 61' ' ' ASP . 5.2 tp -37.84 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 45' ' ' VAL . 18.1 tpt180 -124.93 8.79 8.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' HB3' HD13 ' A' ' 24' ' ' LEU . 67.8 mt-10 -130.65 31.75 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.758 ' NE2' HD11 ' A' ' 24' ' ' LEU . 24.4 p80 37.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.612 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.833 HG21 ' H ' ' A' ' 60' ' ' ILE . 6.6 tp -160.27 110.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -76.85 127.28 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.598 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.1 mm -115.82 83.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -41.47 -41.44 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -46.16 -92.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.08 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.0 ttt -121.24 141.32 32.84 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.77 4.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.33 146.19 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 69.19 139.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.629 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.474 ' HB ' ' CG2' ' A' ' 50' ' ' ILE . 10.6 pt -148.83 155.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.833 ' H ' HG21 ' A' ' 50' ' ' ILE . 1.8 pp -112.21 -171.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.828 ' HA ' HD13 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -156.26 143.51 19.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.878 HG22 ' HB3' ' A' ' 9' ' ' LYS . 8.2 p -83.67 124.7 31.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.773 ' HB2' ' CG1' ' A' ' 84' ' ' ILE . . . -70.5 -81.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.419 ' C ' HD22 ' A' ' 65' ' ' LEU . . . 99.77 -69.58 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD22 ' C ' ' A' ' 64' ' ' GLY . 0.6 OUTLIER -109.59 140.75 43.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttt-85 -42.39 -51.21 4.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.03 -46.47 75.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -52.03 -47.56 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.494 ' OG ' HG21 ' A' ' 84' ' ' ILE . 8.2 t -38.04 -49.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -72.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -40.89 -33.36 0.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' ILE . 73.4 t -71.25 -55.47 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.67 81.84 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.2 -31.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 72' ' ' VAL . 1.2 tt -76.0 -17.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.395 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -107.75 3.63 34.18 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.9 mt 58.17 86.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 0.804 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -170.0 175.1 5.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' GLU . 1.1 mtm180 -38.84 124.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.506 ' O ' ' CG ' ' A' ' 81' ' ' TRP . . . -88.29 46.11 1.35 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CG ' ' O ' ' A' ' 80' ' ' ALA . 0.9 OUTLIER 161.18 70.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 107.988 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 81' ' ' TRP . 2.0 mt-30 166.53 136.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 69.27 103.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.773 ' CG1' ' HB2' ' A' ' 63' ' ' ALA . 3.3 tp -175.33 56.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.35 106.3 18.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.68 ' NE2' ' HB2' ' A' ' 87' ' ' ALA . 2.1 pp0? -130.34 -165.3 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.68 ' HB2' ' NE2' ' A' ' 86' ' ' GLN . . . 56.36 101.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.88 -51.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.23 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.48 ' NH1' ' ND1' ' A' ' 143' ' ' HIS . 0.6 OUTLIER -130.6 116.71 18.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.515 HG21 ' OE1' ' A' ' 110' ' ' GLU . 54.8 t -93.24 133.4 34.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.412 1.07 . . . . 0.0 109.237 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 mp -117.94 85.83 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' ' HG3' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -82.67 100.26 10.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.469 1.105 . . . . 0.0 110.985 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.7 tpt -77.02 117.78 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.6 t -125.35 130.24 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.54 174.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.61 -101.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.3 p -107.53 50.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.373 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.6 m -98.7 108.28 20.93 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.5 t -91.73 159.84 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.5 148.7 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.54 -5.83 47.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.414 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . 84.1 t -96.05 -20.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -53.12 -51.83 71.39 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.785 ' HA ' HG22 ' A' ' 107' ' ' ILE . 18.3 Cg_endo -75.03 -38.53 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.533 1.807 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 108' ' ' TRP . . . -50.19 -31.31 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.55 -42.76 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.785 HG22 ' HA ' ' A' ' 104' ' ' PRO . 0.2 OUTLIER -86.19 46.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.585 ' CB ' ' HD3' ' A' ' 109' ' ' PRO . 0.0 OUTLIER -92.43 -62.17 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.585 ' HD3' ' CB ' ' A' ' 108' ' ' TRP . 18.2 Cg_endo -75.02 -6.57 18.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.567 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 5.2 mm-40 -78.55 -49.35 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -43.75 -48.4 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.2 pp -91.82 109.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HB1' ' CD1' ' A' ' 115' ' ' LEU . . . -170.52 177.41 4.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -122.71 44.25 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.755 HD22 ' O ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -159.5 154.79 21.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.74 43.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.435 ' CB ' ' HB ' ' A' ' 90' ' ' VAL . . . -142.82 106.52 4.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -177.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.571 1.169 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.53 129.67 0.4 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' A' ' 148' ' ' LEU . 18.3 Cg_endo -74.96 177.36 8.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.933 ' CG2' HG23 ' A' ' 134' ' ' THR . 0.6 OUTLIER -137.01 -46.03 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.7 m 70.27 134.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.434 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 123' ' ' VAL . 7.3 p -105.48 55.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 130' ' ' ILE . 8.7 p -43.19 148.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -67.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.83 104.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 129' ' ' ASP . 2.3 ttmm -65.71 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.613 1.196 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.53 78.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -173.36 -49.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 124' ' ' VAL . 18.9 pt -61.11 -28.24 43.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.4 m -58.92 -66.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -73.34 57.11 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.81 -53.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.933 HG23 ' CG2' ' A' ' 121' ' ' ILE . 82.8 m -62.16 -70.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 110.435 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.58 -55.03 40.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.237 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 138' ' ' SER . . . -41.27 -67.19 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 85.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 0.742 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 136' ' ' GLY . 0.5 OUTLIER -137.65 67.66 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.69 -64.66 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.8 p -98.55 142.22 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -47.53 -52.66 16.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 65.71 146.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.48 ' ND1' ' NH1' ' A' ' 89' ' ' ARG . 10.6 t60 -41.42 -61.59 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -173.28 -164.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -131.56 128.89 40.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.55 111.63 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -70.69 151.63 44.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 120' ' ' PRO . 1.0 OUTLIER -167.2 -167.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.48 ' CB ' ' HB ' ' A' ' 152' ' ' THR . 0.0 OUTLIER -132.77 -165.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -108.13 -52.14 2.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 151' ' ' ARG . 1.7 ptm85 -106.01 -34.31 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.229 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.48 ' HB ' ' CB ' ' A' ' 149' ' ' SER . 3.3 m -64.87 -13.28 55.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 74.14 -93.02 0.76 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.9 -67.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 157' ' ' ASP . . . -93.87 -93.99 1.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 157' ' ' ASP . 76.4 t 55.25 -90.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.408 0.711 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 155' ' ' GLY . 14.2 t70 -48.1 -42.83 30.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 159' ' ' LEU . 37.8 t -47.81 -80.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.402 ' N ' HG12 ' A' ' 158' ' ' VAL . 2.1 pp -46.37 -38.68 9.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -42.65 -57.78 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.341 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.93 -45.64 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -67.4 -28.0 67.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.595 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -70.73 -21.98 62.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.212 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 167' ' ' MET . 0.1 OUTLIER -91.99 -56.64 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.432 1.082 . . . . 0.0 109.26 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -41.36 -35.47 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 32.0 m -59.13 -46.91 87.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.165 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 164' ' ' LYS . 28.2 mtt -48.98 117.68 2.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -99.42 160.9 19.76 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.913 HG22 HD21 ' A' ' 4' ' ' LEU . 1.1 pt -48.07 107.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 0.714 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.02 140.99 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.561 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.02 136.62 52.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 10.8 t70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 179.959 . . . . . . . . 0 0 . 1 stop_ save_